Molecular Details
DICL_CP_0307413
- N-methyl-1-pyridin-3-ylmethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307413
PubChem CID
Molecular Formula
C7H10N2 Molecular Weight
122.171 g/mol
Synonyms/Alias
[20173-04-0; N-methyl-1-(pyridin-3-yl)methanamine; N-Methyl-N-(3-pyridylmethyl)amine; 3-(Methylaminomethyl)pyridine; 3-[(Methylamino)methyl]pyridine; N-methyl-1-pyridin-3-ylmethanamine; 3-Pyridinemeth...
InChI Key
MCSAQVGDZLPTBS-UHFFFAOYSA-N
InChI
InChI=1S/C7H10N2/c1-8-5-7-3-2-4-9-6-7/h2-4,6,8H,5H2,1H3
IUPAC Name
N-methyl-1-pyridin-3-ylmethanamine
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
19 19 0 0 0 0 0 0 0 0999 V2000
3.0847 0.5803 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6583 0.4476 0.5277 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9765 -0.275...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >10000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
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
Computed Properties
Heavy Atom Count
9
Rotatable Bonds
2
logP
0.801
Complexity
37.0007
TPSA (Ų)
24.92
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
1