47U
Summary
| Name: | N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide |
| Formula: | C13 H16 N4 O |
| Formal charge: | 0 |
| Formula weight: | 244.292 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-(pyridin-2-yl)-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide |
| OpenEye OEToolkits | 1.9.2 | N-pyridin-2-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1ncccc1)Cc2c(n(nc2C)C)C |
| InChI | InChI | 1.03 | InChI=1S/C13H16N4O/c1-9-11(10(2)17(3)16-9)8-13(18)15-12-6-4-5-7-14-12/h4-7H,8H2,1-3H3,(H,14,15,18) |
| InChIKey | InChI | 1.03 | OGOQOFZVILXVSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(CC(=O)Nc2ccccn2)c1C |
| SMILES | CACTVS | 3.385 | Cn1nc(C)c(CC(=O)Nc2ccccn2)c1C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2 |
| SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)CC(=O)Nc2ccccn2 |
