1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(2-hydroxy-6-methylpyridine-3-carbonyl)-N-methylpiperazine-2-carboxamide
Chemical Structure Depiction of
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(2-hydroxy-6-methylpyridine-3-carbonyl)-N-methylpiperazine-2-carboxamide
1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(2-hydroxy-6-methylpyridine-3-carbonyl)-N-methylpiperazine-2-carboxamide
Compound characteristics
| Compound ID: | S951-0179 |
| Compound Name: | 1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(2-hydroxy-6-methylpyridine-3-carbonyl)-N-methylpiperazine-2-carboxamide |
| Molecular Weight: | 447.42 |
| Molecular Formula: | C21 H20 F3 N5 O3 |
| Smiles: | Cc1ccc(C(N2CCN(C(C2)C(NC)=O)c2ccc(C#N)c(c2)C(F)(F)F)=O)c(n1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3276 |
| logD: | 1.3178 |
| logSw: | -2.2942 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.049 |
| InChI Key: | DRHIXOORYWDPCA-KRWDZBQOSA-N |