A1CWI
Summary
| Name: | 4-methyl-N-[(pyridin-3-yl)methyl]pyridin-2-amine |
| Formula: | C12 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 199.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-methyl-N-[(pyridin-3-yl)methyl]pyridin-2-amine |
| OpenEye OEToolkits | 3.1.0.0 | 4-methyl-~{N}-(pyridin-3-ylmethyl)pyridin-2-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Cc1ccnc(NCc2cccnc2)c1 |
| InChI | InChI | 1.06 | InChI=1S/C12H13N3/c1-10-4-6-14-12(7-10)15-9-11-3-2-5-13-8-11/h2-8H,9H2,1H3,(H,14,15) |
| InChIKey | InChI | 1.06 | HSSNXQNQTXKAPY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccnc(NCc2cccnc2)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccnc(NCc2cccnc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccnc(c1)NCc2cccnc2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccnc(c1)NCc2cccnc2 |
