2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-[(oxolan-2-yl)methyl]pyridine-3-carboxamide
Chemical Structure Depiction of
2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-[(oxolan-2-yl)methyl]pyridine-3-carboxamide
2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-[(oxolan-2-yl)methyl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V017-4188 |
| Compound Name: | 2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N-[(oxolan-2-yl)methyl]pyridine-3-carboxamide |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(c1ccc(C#N)cc1)=O)c1c(cccn1)C(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.384 |
| logD: | 1.3838 |
| logSw: | -2.025 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.252 |
| InChI Key: | IBVVEHVDBLAYQU-LJQANCHMSA-N |