QWH
Summary
| Name: | ~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide |
| Synonyms: | RA399 |
| Formula: | C10 H13 Br N2 O |
| Formal charge: | 0 |
| Formula weight: | 257.127 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-(3-bromanyl-2,6-dimethyl-pyridin-4-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C10H13BrN2O/c1-4-9(14)13-8-5-6(2)12-7(3)10(8)11/h5H,4H2,1-3H3,(H,12,13,14) |
| InChIKey | InChI | 1.03 | DVHOKCVJBHJLOQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)Nc1cc(C)nc(C)c1Br |
| SMILES | CACTVS | 3.385 | CCC(=O)Nc1cc(C)nc(C)c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cc(nc(c1Br)C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)Nc1cc(nc(c1Br)C)C |
