rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5029 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-{1-[(5-methylpyridin-2-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C25 H28 F3 N5 O |
| Smiles: | Cc1ccc(CN2CCC(CC2)[C@@H]2CN(C[C@H]2C(N)=O)c2ccc(C#N)c(c2)C(F)(F)F)nc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0028 |
| logD: | 2.6086 |
| logSw: | -3.176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.133 |
| InChI Key: | VFZULJNDNUYRMP-FCHUYYIVSA-N |