N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | D430-0373 |
| Compound Name: | N-(4-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}phenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C23 H23 N5 O3 |
| Smiles: | Cc1nc(cc(n1)N1CCCC1)Nc1ccc(cc1)NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5312 |
| logD: | 4.2469 |
| logSw: | -4.2718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.391 |
| InChI Key: | UBHPBVFGXNERFI-UHFFFAOYSA-N |