rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-{1-[(pyridin-4-yl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-{1-[(pyridin-4-yl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-{1-[(pyridin-4-yl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5222 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methyl-4-{1-[(pyridin-4-yl)acetyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C26 H28 F3 N5 O2 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C(Cc1ccncc1)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9113 |
| logD: | 1.8987 |
| logSw: | -2.6534 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.093 |
| InChI Key: | HKYSCYVOHBJZMJ-FCHUYYIVSA-N |