2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
Compound characteristics
Compound ID: | 7706-1044 |
Compound Name: | 2-amino-4-(2H-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-[(pyridin-2-yl)methyl]-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile |
Molecular Weight: | 414.42 |
Molecular Formula: | C23 H18 N4 O4 |
Smiles: | CC1=CC2=C(C(C(C#N)=C(N)O2)c2ccc3c(c2)OCO3)C(N1Cc1ccccn1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.0355 |
logD: | 2.0355 |
logSw: | -2.5826 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.009 |
InChI Key: | JXQKAIXZGNUFJJ-HXUWFJFHSA-N |