N-[(E)-3-(benzylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
Formula:C22H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-(benzylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-(benzylamino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C22H19N3O2 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cnccc1)NCc1ccccc1 |
| InChI | InChI=1S/C22H19N3O2/c26-21(19-11-5-2-6-12-19)25-20(14-18-10-7-13-23-15-18)22(27)24-16-17-8-3-1-4-9-17/h1-15H,16H2,(H,24,27)(H,25,26) |
| InChIK | VOHWRKHKCRPGJC-UHFFFAOYSA-N |
| TotalMolweight | 357.412 |
| Molweight | 357.412 |
| MonoisotopicMass | 357.147727 |
| CLogP | 3.1323 |
| CLogS | -3.894 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 288.43 |
| Relative PSA | 0.20792 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | 3.4137 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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