4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-[2-(pyridin-3-yl)ethyl]pyrimidine-5-carboxamide
Chemical Structure Depiction of
4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-[2-(pyridin-3-yl)ethyl]pyrimidine-5-carboxamide
4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-[2-(pyridin-3-yl)ethyl]pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | T003-0132 |
| Compound Name: | 4-[1-(but-2-ynoyl)piperidin-4-yl]-2-methyl-N-[2-(pyridin-3-yl)ethyl]pyrimidine-5-carboxamide |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | CC#CC(N1CCC(CC1)c1c(cnc(C)n1)C(NCCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3245 |
| logD: | 1.3228 |
| logSw: | -1.3755 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.608 |
| InChI Key: | JYVBRMCZHYDHNG-UHFFFAOYSA-N |