3-methyl-N-(6-{4-[(2-nitrophenyl)methyl]piperazin-1-yl}pyridin-3-yl)butanamide
Chemical Structure Depiction of
3-methyl-N-(6-{4-[(2-nitrophenyl)methyl]piperazin-1-yl}pyridin-3-yl)butanamide
3-methyl-N-(6-{4-[(2-nitrophenyl)methyl]piperazin-1-yl}pyridin-3-yl)butanamide
Compound characteristics
| Compound ID: | V009-0349 |
| Compound Name: | 3-methyl-N-(6-{4-[(2-nitrophenyl)methyl]piperazin-1-yl}pyridin-3-yl)butanamide |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | CC(C)CC(Nc1ccc(nc1)N1CCN(CC1)Cc1ccccc1[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0082 |
| logD: | 3.9768 |
| logSw: | -3.9627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.062 |
| InChI Key: | PVQXUHVENXNZQD-UHFFFAOYSA-N |