2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyridin-4-yl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Chemical Structure Depiction of
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyridin-4-yl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyridin-4-yl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
Compound characteristics
| Compound ID: | SC27-2054 |
| Compound Name: | 2-[(2,5-dimethylphenyl)methyl]-3-oxo-N-(pyridin-4-yl)-2,3,5,6,7,8-hexahydro[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C21 H23 N5 O2 |
| Smiles: | Cc1ccc(C)c(CN2C(N3CCCC(C3=N2)C(Nc2ccncc2)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1752 |
| logD: | 3.0999 |
| logSw: | -2.9072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.725 |
| InChI Key: | HTHHCSRCZFXBQL-GOSISDBHSA-N |