L5I
Summary
| Name: | (2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
| Formula: | C13 H18 N2 O |
| Formal charge: | 0 |
| Formula weight: | 218.295 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-3-cyclopropyl-2-methyl-~{N}-(4-methylpyridin-3-yl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(Nc1cnccc1C)C(C)CC1CC1 |
| InChI | InChI | 1.06 | InChI=1S/C13H18N2O/c1-9-5-6-14-8-12(9)15-13(16)10(2)7-11-3-4-11/h5-6,8,10-11H,3-4,7H2,1-2H3,(H,15,16)/t10-/m1/s1 |
| InChIKey | InChI | 1.06 | SRXLGHBNKKQZHE-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CC1CC1)C(=O)Nc2cnccc2C |
| SMILES | CACTVS | 3.385 | C[CH](CC1CC1)C(=O)Nc2cnccc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)[C@H](C)CC2CC2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccncc1NC(=O)C(C)CC2CC2 |
