rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(pyridin-3-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(pyridin-3-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(pyridin-3-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5462 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-ethyl-4-{1-[(pyridin-3-yl)methyl]piperidin-4-yl}pyrrolidine-3-carboxamide |
| Molecular Weight: | 485.55 |
| Molecular Formula: | C26 H30 F3 N5 O |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)Cc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7408 |
| logD: | 2.5634 |
| logSw: | -2.9963 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.27 |
| InChI Key: | FUDSFMGIGNMVPJ-XZOQPEGZSA-N |