A1A3F
Summary
| Name: | (3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile |
| Formula: | C15 H16 N4 |
| Formal charge: | 0 |
| Formula weight: | 252.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3P)-3-(6-amino-4-methylpyridin-2-yl)-5-[(methylamino)methyl]benzonitrile |
| OpenEye OEToolkits | 2.0.7 | 3-(6-azanyl-4-methyl-pyridin-2-yl)-5-(methylaminomethyl)benzenecarbonitrile |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1cc(nc(N)c1)c1cc(C#N)cc(CNC)c1 |
| 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 |
| SMILES_CANONICAL | CACTVS | 3.385 | CNCc1cc(cc(c1)c2cc(C)cc(N)n2)C#N |
| SMILES | CACTVS | 3.385 | CNCc1cc(cc(c1)c2cc(C)cc(N)n2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2)C#N)CNC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(nc(c1)N)c2cc(cc(c2)C#N)CNC |
