N-[(Z)-(4-anilinophenyl)methylideneamino]pyridine-4-carboxamide
Formula:C19H16N4O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-anilinophenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-anilinophenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C19H16N4O |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1Nc1ccccc1 |
| InChI | InChI=1S/C19H16N4O/c24-19(16-10-12-20-13-11-16)23-21-14-15-6-8-18(9-7-15)22-17-4-2-1-3-5-17/h1-14,22H,(H,23,24) |
| InChIK | LYKSYNOBDBDTQE-UHFFFAOYSA-N |
| TotalMolweight | 316.363 |
| Molweight | 316.363 |
| MonoisotopicMass | 316.132411 |
| CLogP | 3.7311 |
| CLogS | -4.504 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 256.97 |
| Relative PSA | 0.22742 |
| PolarSurfaceArea | 66.38 |
| Druglikeness | 4.5952 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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