N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C15H12N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(cyanomethoxy)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C15H12N4O2 |
| Smiles | N#CCOc1c(/C=N\NC(c2ccncc2)=O)cccc1 |
| InChI | InChI=1S/C15H12N4O2/c16-7-10-21-14-4-2-1-3-13(14)11-18-19-15(20)12-5-8-17-9-6-12/h1-6,8-9,11H,10H2,(H,19,20) |
| InChIK | FXFHDCVZRJKVLR-UHFFFAOYSA-N |
| TotalMolweight | 280.286 |
| Molweight | 280.286 |
| MonoisotopicMass | 280.096026 |
| CLogP | 1.7826 |
| CLogS | -3.392 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 231.22 |
| Relative PSA | 0.30508 |
| PolarSurfaceArea | 87.37 |
| Druglikeness | -0.2595 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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