KO9
Summary
| Name: | N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide |
| Formula: | C13 H10 N4 O |
| Formal charge: | 0 |
| Formula weight: | 238.245 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(5-cyanopyridin-3-yl)-2-pyridin-3-yl-ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cc(cnc1)C#N)Cc1cccnc1 |
| InChI | InChI | 1.06 | InChI=1S/C13H10N4O/c14-6-11-4-12(9-16-8-11)17-13(18)5-10-2-1-3-15-7-10/h1-4,7-9H,5H2,(H,17,18) |
| InChIKey | InChI | 1.06 | NFHVZMZTKNOYHY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(Cc1cccnc1)Nc2cncc(c2)C#N |
| SMILES | CACTVS | 3.385 | O=C(Cc1cccnc1)Nc2cncc(c2)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CC(=O)Nc2cc(cnc2)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cnc1)CC(=O)Nc2cc(cnc2)C#N |
