| MolName | N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide |
| MolecularFormula | C21H21N3O3 |
| Smiles | O=C(c1ncccc1)N(C[C@H]1OCCC1)CC1=Cc(cccc2)c2NC1=O |
| InChI | InChI=1S/C21H21N3O3/c25-20-16(12-15-6-1-2-8-18(15)23-20)13-24(14-17-7-5-11-27-17)21(26)19-9-3-4-10-22-19/h1-4,6,8-10,12,17H,5,7,11,13-14H2,(H,23,25)/t17-/m0/s1 |
| InChIK | GWNYDIHUBRFMHX-KRWDZBQOSA-N |
| TotalMolweight | 363.416 |
| Molweight | 363.416 |
| MonoisotopicMass | 363.158292 |
| CLogP | 1.5342 |
| CLogS | -3.025 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 278.05 |
| Relative PSA | 0.2232 |
| PolarSurfaceArea | 71.53 |
| Druglikeness | 3.6084 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide | 2 - N-[[(2S)-oxolan-2-yl]methyl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-2-carboxamide