4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
Chemical Structure Depiction of
4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | T003-0140 |
| Compound Name: | 4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-phenylpyrimidine-5-carboxamide |
| Molecular Weight: | 362.43 |
| Molecular Formula: | C21 H22 N4 O2 |
| Smiles: | CC#CC(N1CCC(CC1)c1c(cnc(C)n1)C(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6885 |
| logD: | 2.6872 |
| logSw: | -3.2388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.927 |
| InChI Key: | OHXMIFLZDVLEBC-UHFFFAOYSA-N |