N-{[4-(morpholin-4-yl)phenyl]methyl}-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Chemical Structure Depiction of
N-{[4-(morpholin-4-yl)phenyl]methyl}-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
N-{[4-(morpholin-4-yl)phenyl]methyl}-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
Compound characteristics
| Compound ID: | N121-1124 |
| Compound Name: | N-{[4-(morpholin-4-yl)phenyl]methyl}-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide |
| Molecular Weight: | 545.73 |
| Molecular Formula: | C32 H43 N5 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2ccc(cc2)N2CCOCC2)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5817 |
| logD: | -0.88 |
| logSw: | -1.4904 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.271 |
| InChI Key: | CGXGSPCPAFKJPG-PYXCEVMUSA-N |