4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(pyridin-4-yl)methyl]butanamide
Chemical Structure Depiction of
4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(pyridin-4-yl)methyl]butanamide
4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(pyridin-4-yl)methyl]butanamide
Compound characteristics
| Compound ID: | N121-1073 |
| Compound Name: | 4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]-N-[(pyridin-4-yl)methyl]butanamide |
| Molecular Weight: | 461.61 |
| Molecular Formula: | C27 H35 N5 O2 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCc2ccncc2)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.5062 |
| logD: | -1.9556 |
| logSw: | -0.9778 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.339 |
| InChI Key: | XMTVLGRPVSXVEJ-WSKLTFMVSA-N |