(Z)-2,3-diphenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
Formula:C21H18N2O
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-2,3-diphenyl-N-(pyridin-3-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-2,3-diphenyl-N-(pyridin-3-ylmethyl)prop-2-enamide |
| MolecularFormula | C21H18N2O |
| Smiles | O=C(/C(/c1ccccc1)=C\c1ccccc1)NCc1cnccc1 |
| InChI | InChI=1S/C21H18N2O/c24-21(23-16-18-10-7-13-22-15-18)20(19-11-5-2-6-12-19)14-17-8-3-1-4-9-17/h1-15H,16H2,(H,23,24) |
| InChIK | BGHQYESBTHYVFD-UHFFFAOYSA-N |
| TotalMolweight | 314.387 |
| Molweight | 314.387 |
| MonoisotopicMass | 314.141913 |
| CLogP | 3.1816 |
| CLogS | -3.476 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 259.22 |
| Relative PSA | 0.13683 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | 3.1325 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-2,3-diphenyl-N-(pyridin-3-ylmethyl)prop-2-enamide | 2 - (Z)-2,3-diphenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off