3-bromo-N-{4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
3-bromo-N-{4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
3-bromo-N-{4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0294 |
| Compound Name: | 3-bromo-N-{4-[3-oxo-3-(pyrrolidin-1-yl)propyl]phenyl}-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 469.34 |
| Molecular Formula: | C21 H21 Br N6 O2 |
| Smiles: | C1CCN(C1)C(CCc1ccc(cc1)NC(c1c(ccc(n1)n1cnnc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0801 |
| logD: | 3.0793 |
| logSw: | -3.512 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.698 |
| InChI Key: | WJOYXHBDBXKJDI-UHFFFAOYSA-N |