N-[(E)-3-(4-iodoanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide
Formula:C21H16N3O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-(4-iodoanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(E)-3-(4-iodoanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]benzamide |
| MolecularFormula | C21H16N3O2I |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1cnccc1)Nc(cc1)ccc1I |
| InChI | InChI=1S/C21H16IN3O2/c22-17-8-10-18(11-9-17)24-21(27)19(13-15-5-4-12-23-14-15)25-20(26)16-6-2-1-3-7-16/h1-14H,(H,24,27)(H,25,26) |
| InChIK | LQVSXFRBQDEENO-UHFFFAOYSA-N |
| TotalMolweight | 469.277 |
| Molweight | 469.277 |
| MonoisotopicMass | 469.028725 |
| CLogP | 3.86 |
| CLogS | -5.094 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.95 |
| Relative PSA | 0.19927 |
| PolarSurfaceArea | 71.09 |
| Druglikeness | 3.4886 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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