Molecular Details
DICL_CP_0308815
- 3-(1-methylpyrrolidin-2-yl)pyridine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308815
PubChem CID
Molecular Formula
C10H14N2 Molecular Weight
162.236 g/mol
Synonyms/Alias
[22083-74-5; (+/-)-Nicotine; 3-(1-methylpyrrolidin-2-yl)pyridine; (R;S)-Nicotine; Black leaf; Pyridine; 3-(1-methyl-2-pyrrolidinyl)-; Black Leaf 40; (+-)-Nicotine; Nikotin; rac-Nicotine; DL-Nicotine; ...
InChI Key
SNICXCGAKADSCV-UHFFFAOYSA-N
InChI
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
IUPAC Name
3-(1-methylpyrrolidin-2-yl)pyridine
CAS Number
54-11-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 27 0 0 0 0 0 0 0 0999 V2000
-1.9166 0.2062 1.6355 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3638 0.4110 0.2880 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3978 0.297...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptorsubunit alpha-9
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 1000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
22 °C
Test Method
Binding assay ([125I] alpha-Bungarotoxin)
Test Species
Rattus norvegicus adrenal gland
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
(±)-[3H]epibatidine
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
12
Rotatable Bonds
1
logP
1.8483
Complexity
48.842
TPSA (Ų)
16.13
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
2