4FD
Summary
| Name: | 6-(benzylamino)pyridine-3-carboxamide |
| Formula: | C13 H13 N3 O |
| Formal charge: | 0 |
| Formula weight: | 227.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-(benzylamino)pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.9.2 | 6-[(phenylmethyl)amino]pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(c1cnc(cc1)NCc2ccccc2)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H13N3O/c14-13(17)11-6-7-12(16-9-11)15-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H2,14,17)(H,15,16) |
| InChIKey | InChI | 1.03 | JLARFNBDECTDMW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)c1ccc(NCc2ccccc2)nc1 |
| SMILES | CACTVS | 3.385 | NC(=O)c1ccc(NCc2ccccc2)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CNc2ccc(cn2)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(cc1)CNc2ccc(cn2)C(=O)N |
