4E4
Summary
| Name: | 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide |
| Formula: | C13 H20 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 236.31 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide |
| OpenEye OEToolkits | 1.9.2 | 2-ethyl-2-(hydroxymethyl)-N-(6-methylpyridin-3-yl)butanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C)C(CO)(C(=O)Nc1cnc(C)cc1)CC |
| InChI | InChI | 1.03 | InChI=1S/C13H20N2O2/c1-4-13(5-2,9-16)12(17)15-11-7-6-10(3)14-8-11/h6-8,16H,4-5,9H2,1-3H3,(H,15,17) |
| InChIKey | InChI | 1.03 | FUZYSBUZNYZZBN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(CC)(CO)C(=O)Nc1ccc(C)nc1 |
| SMILES | CACTVS | 3.385 | CCC(CC)(CO)C(=O)Nc1ccc(C)nc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CCC(CC)(CO)C(=O)Nc1ccc(nc1)C |
| SMILES | OpenEye OEToolkits | 1.9.2 | CCC(CC)(CO)C(=O)Nc1ccc(nc1)C |
