N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide
Compound characteristics
| Compound ID: | J015-0156 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4H-1,2,4-triazol-4-yl)pyridine-2-carboxamide |
| Molecular Weight: | 323.31 |
| Molecular Formula: | C16 H13 N5 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cccc(n1)n1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7546 |
| logD: | 1.7546 |
| logSw: | -2.1839 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.878 |
| InChI Key: | LXQCPCYWFZZHLV-UHFFFAOYSA-N |