N-[4-(dimethylamino)phenyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Chemical Structure Depiction of
N-[4-(dimethylamino)phenyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
N-[4-(dimethylamino)phenyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide
Compound characteristics
Compound ID: | D494-0563 |
Compound Name: | N-[4-(dimethylamino)phenyl]-N~3~-[5-methyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-beta-alaninamide |
Molecular Weight: | 416.48 |
Molecular Formula: | C22 H24 N8 O |
Smiles: | Cc1cc(NCCC(Nc2ccc(cc2)N(C)C)=O)n2c(n1)nc(c1cccnc1)n2 |
Stereo: | ACHIRAL |
logP: | 1.9645 |
logD: | 1.8109 |
logSw: | -2.277 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.476 |
InChI Key: | JADVDKHGDYMIGA-UHFFFAOYSA-N |