8D8
Summary
| Name: | (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide |
| Formula: | C11 H14 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 206.241 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-N-[(1R)-1-cyclopropylethyl]-2-oxo-2,3-dihydropyridine-3-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R})-1-cyclopropylethyl]-2-oxidanylidene-3~{H}-pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC(C)C1CC1)C1C=CC=NC1=O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N2O2/c1-7(8-4-5-8)13-11(15)9-3-2-6-12-10(9)14/h2-3,6-9H,4-5H2,1H3,(H,13,15)/t7-,9?/m1/s1 |
| InChIKey | InChI | 1.03 | PGQRHRREOJGSGD-YOXFSPIKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](NC(=O)[C@@H]1C=CC=NC1=O)C2CC2 |
| SMILES | CACTVS | 3.385 | C[CH](NC(=O)[CH]1C=CC=NC1=O)C2CC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H](C1CC1)NC(=O)C2C=CC=NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C1CC1)NC(=O)C2C=CC=NC2=O |
