N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C25H20N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C25H20N4O |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C25H20N4O/c30-25(21-15-17-26-18-16-21)28-27-19-20-11-13-24(14-12-20)29(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-19H,(H,28,30) |
| InChIK | GJZRHJROCIDYBO-UHFFFAOYSA-N |
| TotalMolweight | 392.461 |
| Molweight | 392.461 |
| MonoisotopicMass | 392.163711 |
| CLogP | 4.7951 |
| CLogS | -7.102 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 315.57 |
| Relative PSA | 0.16012 |
| PolarSurfaceArea | 57.59 |
| Druglikeness | 5.0762 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 12 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]pyridine-4-carboxamide
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