N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3-cyanobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3-cyanobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3-cyanobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V007-0825 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3-cyanobenzoyl)piperazin-1-yl]pyridine-3-carboxamide |
| Molecular Weight: | 469.5 |
| Molecular Formula: | C26 H23 N5 O4 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(c1cccc(C#N)c1)=O)c1c(cccn1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6292 |
| logD: | 2.6288 |
| logSw: | -3.2704 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.713 |
| InChI Key: | ZBNOCQSVHUIOOE-UHFFFAOYSA-N |