N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D576-0169 |
| Compound Name: | N-(4-{[6-methyl-2-(piperidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H25 N5 O3 |
| Smiles: | Cc1cc(Nc2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)nc(n1)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0739 |
| logD: | 4.4549 |
| logSw: | -4.7753 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.682 |
| InChI Key: | KCRBTEROKPDYGQ-UHFFFAOYSA-N |