N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}pyridine-3-carboxamide
Chemical Structure Depiction of
N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}pyridine-3-carboxamide
N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | N118-0076 |
| Compound Name: | N-{1-[(11aR)-8-oxooctahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbonyl]piperidin-4-yl}pyridine-3-carboxamide |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C23 H31 N5 O3 |
| Smiles: | [H][C@@]12CCCC(N2C[C@@H]2C[C@@H]1CN(C2)C(N1CCC(CC1)NC(c1cccnc1)=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 0.7386 |
| logD: | 0.7386 |
| logSw: | -0.9711 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.39 |
| InChI Key: | WGLXGZIQUQEYGW-ILZDJORESA-N |