NCA
Summary
| Name: | NICOTINAMIDE |
| Formula: | C6 H6 N2 O |
| Formal charge: | 0 |
| Formula weight: | 122.125 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | pyridine-3-carboxamide |
| OpenEye OEToolkits | 1.5.0 | pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(N)c1cccnc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | NC(=O)c1cccnc1 |
| SMILES | CACTVS | 3.341 | NC(=O)c1cccnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)C(=O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cnc1)C(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9) |
| InChIKey | InChI | 1.03 | DFPAKSUCGFBDDF-UHFFFAOYSA-N |
