N-[(Z)-3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl]benzamide
Formula:C20H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-3-oxo-3-piperidin-1-yl-1-pyridin-4-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C20H21N3O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C/c1ccncc1)N1CCCCC1 |
| InChI | InChI=1S/C20H21N3O2/c24-19(17-7-3-1-4-8-17)22-18(15-16-9-11-21-12-10-16)20(25)23-13-5-2-6-14-23/h1,3-4,7-12,15H,2,5-6,13-14H2,(H,22,24) |
| InChIK | GTWVVWUGTPSBFP-UHFFFAOYSA-N |
| TotalMolweight | 335.406 |
| Molweight | 335.406 |
| MonoisotopicMass | 335.163377 |
| CLogP | 3.1137 |
| CLogS | -3.165 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 269.05 |
| Relative PSA | 0.1935 |
| PolarSurfaceArea | 62.3 |
| Druglikeness | 3.6593 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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