N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-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-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(1R,3aS,10aR,10bS)-2-(pyridine-3-carbonyl)decahydro-1H,4H-pyrido[3,2,1-ij][1,6]naphthyridin-1-yl]butanamide
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-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: | N121-1054 |
| Compound Name: | N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-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: | 543.71 |
| Molecular Formula: | C32 H41 N5 O3 |
| Smiles: | [H][C@]12CCCN3CCC[C@@]([H])([C@]23[H])[C@@]([H])(CCCC(NCCc2c[nH]c3ccc(cc23)OC)=O)N(C1)C(c1cccnc1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0075 |
| logD: | -0.4542 |
| logSw: | -2.3248 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.166 |
| InChI Key: | GRXNJWKGUWFCST-OCPJJFGMSA-N |