A1I79
Summary
| Name: | ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxamide |
| Synonyms: | OXO(PHENYL)ACETIC ACID |
| Formula: | C11 H13 Cl N4 O2 |
| Formal charge: | 0 |
| Formula weight: | 268.7 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(2-azanyl-2-oxidanylidene-ethyl)-5-chloranyl-2-(cyclopropylamino)pyridine-4-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H13ClN4O2/c12-8-4-14-10(16-6-1-2-6)3-7(8)11(18)15-5-9(13)17/h3-4,6H,1-2,5H2,(H2,13,17)(H,14,16)(H,15,18) |
| InChIKey | InChI | 1.06 | LWHCPXNYAQGAQP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CNC(=O)c1cc(NC2CC2)ncc1Cl |
| SMILES | CACTVS | 3.385 | NC(=O)CNC(=O)c1cc(NC2CC2)ncc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(c(cnc1NC2CC2)Cl)C(=O)NCC(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(c(cnc1NC2CC2)Cl)C(=O)NCC(=O)N |
