N-[4-(cyanomethyl)phenyl]-4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazine-1-carboxamide
N-[4-(cyanomethyl)phenyl]-4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | V001-5203 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-4-(3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}pyridin-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 528.61 |
| Molecular Formula: | C29 H32 N6 O4 |
| Salt: | not_available |
| Smiles: | [H]C1([H])CN(CC([H])([H])N1C(Nc1ccc(CC#N)cc1)=O)c1c(cccn1)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4225 |
| logD: | 2.4223 |
| logSw: | -3.1063 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.956 |
| InChI Key: | USYRJHMWHOCUIF-UHFFFAOYSA-N |