Molecular Details

DICL_CP_0314190 - N-[(6-chloropyridin-3-yl)methyl]-N-cyano-N-methylethanimidamide

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0314190

PubChem CID

213021

Molecular Formula

C₁₀H₁₁ClN₄

Molecular Weight

222.679 g/mol

Synonyms/Alias

[Acetamiprid; 135410-20-7; 160430-64-8; Mospilan; Intruder; Assail; Piorun; Stonkat; Prize; Acetamiprid [ISO]; (E)-N-((6-Chloropyridin-3-yl)methyl)-N-cyano-N-methylacetimidamide; (E)-acetamiprid; N-[(...[Acetamiprid; 135410-20-7; 160430-64-8; Mospilan; Intruder; Assail; Piorun; Stonkat; Prize; Acetamiprid [ISO]; (E)-N-((6-Chloropyridin-3-yl)methyl)-N-cyano-N-methylacetimidamide; (E)-acetamiprid; N-[(6-chloropyridin-3-yl)methyl]-N-cyano-N-methylethanimidamide; NI 25; NI-25; (Z)-acetamiprid; CHEBI:39164; Ethanimidamide; N-[(6-chloro-3-pyridinyl)methyl]-N-cyano-N-methyl-; (1E)-; TD-2472; TD-2480; Ethanimidamide; N-((6-chloro-3-pyridinyl)methyl)-N-cyano-N-methyl-; (E)-; DTXSID0034300; CHEBI:39163; (E)-N-(6-Chloro-3-pyridyl)methyl-N-cyano-N-methylacetamidine; N-((6-Chloro-3-pyridinyl)methyl)-N-cyano-N-methylethanimidamide; N-((6-Chloropyridin-3-yl)methyl)-N-cyano-N-methylacetimidamide; 5HL5N372P0; MFCD06201842; (1E)-N-((6-chloro-3-pyridinyl)methyl)-N-cyano-N-methylethanimidamide; Ethanimidamide; N-[(6-chloro-3-pyridinyl)methyl]-N-cyano-N-methyl-;(1E)-; (E)-N(sup 1)-((6-chloro-3-pyridyl)methyl)-N(sup 2)-cyano-N(sup 1)-methylacetamidine; N-[(6-chloro-3-pyridyl)methyl]-N-cyano-N-methyl-acetamidine; (1E)-N-[(6-chloropyridin-3-yl)methyl]-N-cyano-N-methylethanimidamide; Ethanimidamide; N-((6-chloro-3-pyridinyl)methyl)-N-cyano-N-methyl-; (1E)-; Gazelle SG; Mospilan 20SP; NFK 17; HSDB 7274; ADA 06200; TD 2472; TD 2480; Acetamipride; UNII-5HL5N372P0; CCRIS 9238; TD 2472-01; (E/Z)-Acetamiprid; PROFIL; TRI-STAR; Acetamiprid 10 microg/mL in Ethyl acetate; BY 102960; ACETAMIPRID [MI]; ACETAMIPRID [HSDB]; SCHEMBL26296; CHEMBL265941; NFK-17; CHEMBL3185634; DTXCID7032422; SCHEMBL13448458; CHEBI:39165; N-(6-Chloro-3-pyridylmethyl)-N-cyano-N-methylacetamidine; DTXSID901015148; 66 - Neonicotinoids in groundwater; Tox21_301046; ADA-06200; BDBM50486223; Ethanimidamide; N-((6-chloro-3-pyridinyl)methyl)-N-cyano-N-methyl-; AKOS015891945; AKOS015964740; AKOS030228384; NCGC00163881-01; NCGC00163881-02; NCGC00163881-03; NCGC00254948-01; AS-12113; SY317431; DB-042287; CAS-135410-20-7; CS-0166829; NS00000453; NS00117944; TD-2472-01; Acetamiprid; PESTANAL(R); analytical standard; C18507; EN300-6730808; EN300-6732053; A810143; Q421598; J-006693; Q27119764; (E)-N-(6-Chloro-3-pyridylmethyl)-N-cyano-N-methylacetamidine; (e)-n1-[(6-chloro-3-pyridyl)methyl]-n2-cyano-n1-methylacetamidine; (1Z)-N-[(6-chloropyridin-3-yl)methyl]-N-cyano-N-methylethanimidamide; (E)-N-((6-chloro-3-pyridinyl)methyl)-N-cyano-N-methylethanimidamide; (Z)-N-[(6-chloropyridin-3-yl)methyl]-N-cyano-N-methylethanimidamide; N-[(6-Chloro-3-pyridinyl)methyl]-Na(2)-cyano-N-methylethanimidamide; (E)-N^1^-[(6-Chloropyridin-3-yl)methyl]-N^2^-cyano-N^1^-methylacetamidine; N-[(6-Chloro-3-pyridyl)methyl]-N inverted exclamation mark -cyano-N-methylacetimidamide]

InChI Key

WCXDHFDTOYPNIE-UHFFFAOYSA-N

InChI

InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3

IUPAC Name

N-[(6-chloropyridin-3-yl)methyl]-N-cyano-N-methylethanimidamide

CAS Number

135410-20-7

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

26 26 0 0 0 0 0 0 0 0999 V2000
-2.1698 0.8903 -1.7446 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5795 -0.0685 -0.7316 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1925 -0.315...

Download SDF File (2235 bytes)

Experimental Data

Activity Data

Target Ion Channel

Neuronal acetylcholine receptor subunit alpha-4/beta-2

Uniprot Accession Number

P09482/P09484

Function

Antagonist

Species

Gallus gallus (Chicken)

IC₅₀

N/A (Not available)

EC₅₀

N/A (Not available)

K_i

K_i: 680 nM

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

Not mention

Holding Potential

Not specified

Temperature

Not mention

Test Method

Binding assay ([3H] Nicotine)

Test Species

Not specified

Binding Information

Binding Site

Extracellular domain

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1021/jf1019455

URL

N/A (Not available)

PMID

21341671

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.0663

Complexity

59.436

TPSA (Å²)

52.28

H-Bond Donors

H-Bond Acceptors

Ring Count

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