N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carboxamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carboxamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carboxamide
Compound characteristics
| Compound ID: | M475-0418 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-2-(4-methylphenyl)-4-(pyridin-4-yl)pyrimidine-5-carboxamide |
| Molecular Weight: | 449.56 |
| Molecular Formula: | C28 H27 N5 O |
| Smiles: | Cc1ccc(cc1)c1ncc(C(NCCN2CCc3ccccc3C2)=O)c(c2ccncc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.3837 |
| logD: | 4.2699 |
| logSw: | -3.8134 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.886 |
| InChI Key: | JGNCHWUDNYFKQN-UHFFFAOYSA-N |