XBW
Summary
| Name: | ~{N}-(phenylmethyl)pyridine-2-carboxamide |
| Formula: | C13 H12 N2 O |
| Formal charge: | 0 |
| Formula weight: | 212.247 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(phenylmethyl)pyridine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H12N2O/c16-13(12-8-4-5-9-14-12)15-10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16) |
| InChIKey | InChI | 1.06 | NNIFYECULHSHBH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NCc1ccccc1)c2ccccn2 |
| SMILES | CACTVS | 3.385 | O=C(NCc1ccccc1)c2ccccn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)c2ccccn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)c2ccccn2 |
