A1C9Q
Summary
| Name: | N,N-dimethyl-2-[(propan-2-yl)amino]pyridine-3-carboxamide |
| Formula: | C11 H17 N3 O |
| Formal charge: | 0 |
| Formula weight: | 207.272 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N,N-dimethyl-2-[(propan-2-yl)amino]pyridine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N},~{N}-dimethyl-2-(propan-2-ylamino)pyridine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CC(C)Nc1ncccc1C(=O)N(C)C |
| InChI | InChI | 1.06 | InChI=1S/C11H17N3O/c1-8(2)13-10-9(6-5-7-12-10)11(15)14(3)4/h5-8H,1-4H3,(H,12,13) |
| InChIKey | InChI | 1.06 | FZDSOHOHCVRJNU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Nc1ncccc1C(=O)N(C)C |
| SMILES | CACTVS | 3.385 | CC(C)Nc1ncccc1C(=O)N(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)Nc1c(cccn1)C(=O)N(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)Nc1c(cccn1)C(=O)N(C)C |
