LRC
Summary
| Name: | 2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide |
| Formula: | C13 H12 Cl N3 O |
| Formal charge: | 0 |
| Formula weight: | 261.707 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | 2-(5-chloranylpyridin-3-yl)-~{N}-(4-methylpyridin-3-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)Cc1cc(Cl)cnc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H12ClN3O/c1-9-2-3-15-8-12(9)17-13(18)5-10-4-11(14)7-16-6-10/h2-4,6-8H,5H2,1H3,(H,17,18) |
| InChIKey | InChI | 1.06 | OCRRKPZGCOGESB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cncc(Cl)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccncc1NC(=O)Cc2cncc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cnc2)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)Cc2cc(cnc2)Cl |
