2-(3-methylbutyl)-1-oxo-N-[(pyridin-2-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(3-methylbutyl)-1-oxo-N-[(pyridin-2-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
2-(3-methylbutyl)-1-oxo-N-[(pyridin-2-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y040-9605 |
| Compound Name: | 2-(3-methylbutyl)-1-oxo-N-[(pyridin-2-yl)methyl]-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C21 H23 N3 O2 |
| Smiles: | CC(C)CCN1C=C(C(NCc2ccccn2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.5564 |
| logD: | 2.5555 |
| logSw: | -2.9848 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.407 |
| InChI Key: | GQJYIIOFLVIKSQ-UHFFFAOYSA-N |