A1A3F
(3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile
Created: | 2024-08-23 |
Last modified: | 2025-04-30 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 0 |
Bond Count | 36 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
---|---|
Name | (3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile |
Systematic Name (OpenEye OEToolkits) | 3-(6-azanyl-4-methyl-pyridin-2-yl)-5-(methylaminomethyl)benzenecarbonitrile |
Formula | C15 H16 N4 |
Molecular Weight | 252.314 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 14.52 | Cc1cc(nc(N)c1)c1cc(C#N)cc(CNC)c1 |
SMILES | CACTVS | 3.385 | CNCc1cc(cc(c1)c2cc(C)cc(N)n2)C#N |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2)C#N)CNC |
Canonical SMILES | CACTVS | 3.385 | CNCc1cc(cc(c1)c2cc(C)cc(N)n2)C#N |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2)C#N)CNC |
InChI | InChI | 1.06 | InChI=1S/C15H16N4/c1-10-3-14(19-15(17)4-10)13-6-11(8-16)5-12(7-13)9-18-2/h3-7,18H,9H2,1-2H3,(H2,17,19) |
InChIKey | InChI | 1.06 | KMIIYZIQKGGZIB-UHFFFAOYSA-N |