4-{3-[2-(2-methylanilino)pyrimidin-4-yl]piperidine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{3-[2-(2-methylanilino)pyrimidin-4-yl]piperidine-1-carbonyl}benzonitrile
4-{3-[2-(2-methylanilino)pyrimidin-4-yl]piperidine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | M373-0967 |
| Compound Name: | 4-{3-[2-(2-methylanilino)pyrimidin-4-yl]piperidine-1-carbonyl}benzonitrile |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C24 H23 N5 O |
| Smiles: | Cc1ccccc1Nc1nccc(C2CCCN(C2)C(c2ccc(C#N)cc2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5932 |
| logD: | 3.5913 |
| logSw: | -3.5521 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.957 |
| InChI Key: | FRPXZMXUWGWGSO-FQEVSTJZSA-N |