rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5227 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-[1-(6-methylpyridine-2-carbonyl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C26 H28 F3 N5 O2 |
| Smiles: | Cc1cccc(C(N2CCC(CC2)[C@@H]2CN(C[C@H]2C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)n1 |
| Stereo: | RELATIVE |
| logP: | 2.7012 |
| logD: | 2.7012 |
| logSw: | -3.1082 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.614 |
| InChI Key: | ITDOBZMQWOITFV-LEWJYISDSA-N |