N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C24H19N3O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C24H19N3O2 |
| Smiles | O=C(c1ccncc1)N/N=C\c1cc(OCc2cccc3ccccc23)ccc1 |
| InChI | InChI=1S/C24H19N3O2/c28-24(20-11-13-25-14-12-20)27-26-16-18-5-3-9-22(15-18)29-17-21-8-4-7-19-6-1-2-10-23(19)21/h1-16H,17H2,(H,27,28) |
| InChIK | HSYFZZZITQBCGC-UHFFFAOYSA-N |
| TotalMolweight | 381.434 |
| Molweight | 381.434 |
| MonoisotopicMass | 381.147727 |
| CLogP | 4.7432 |
| CLogS | -5.873 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 303.87 |
| Relative PSA | 0.18751 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0205 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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