A1BN5
Summary
| Name: | N~3~-(2-methylphenyl)pyridine-3,5-dicarboxamide |
| Formula: | C14 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 255.272 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N~3~-(2-methylphenyl)pyridine-3,5-dicarboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}5-(2-methylphenyl)pyridine-3,5-dicarboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Nc1ccccc1C)c1cc(cnc1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C14H13N3O2/c1-9-4-2-3-5-12(9)17-14(19)11-6-10(13(15)18)7-16-8-11/h2-8H,1H3,(H2,15,18)(H,17,19) |
| InChIKey | InChI | 1.06 | UWNHLJGYVVRCPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccccc1NC(=O)c2cncc(c2)C(N)=O |
| SMILES | CACTVS | 3.385 | Cc1ccccc1NC(=O)c2cncc(c2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1NC(=O)c2cc(cnc2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccccc1NC(=O)c2cc(cnc2)C(=O)N |
