MQ3
Summary
| Name: | (2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide |
| Formula: | C15 H22 N2 O |
| Formal charge: | 0 |
| Formula weight: | 246.348 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-cyclohexyl-~{N}-(4-methylpyridin-3-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)C(C)C1CCCCC1 |
| InChI | InChI | 1.06 | InChI=1S/C15H22N2O/c1-11-8-9-16-10-14(11)17-15(18)12(2)13-6-4-3-5-7-13/h8-10,12-13H,3-7H2,1-2H3,(H,17,18)/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | KMBBZQXTAKMYIS-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](C1CCCCC1)C(=O)Nc2cnccc2C |
| SMILES | CACTVS | 3.385 | C[CH](C1CCCCC1)C(=O)Nc2cnccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H](C)C2CCCCC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)C2CCCCC2 |
