WN7
Summary
| Name: | 5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine |
| Formula: | C12 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 199.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine |
| OpenEye OEToolkits | 2.0.7 | 5-methyl-~{N}-(pyridin-4-ylmethyl)pyridin-3-amine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c2c(CNc1cc(C)cnc1)ccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3 |
| InChIKey | InChI | 1.03 | CKIRWILOFLBVIB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cncc(NCc2ccncc2)c1 |
| SMILES | CACTVS | 3.385 | Cc1cncc(NCc2ccncc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1)NCc2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cnc1)NCc2ccncc2 |
