N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C21H16N4O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C21H16N4O2 |
| Smiles | N#Cc1c(COc2ccc(/C=N\NC(c3ccncc3)=O)cc2)cccc1 |
| InChI | InChI=1S/C21H16N4O2/c22-13-18-3-1-2-4-19(18)15-27-20-7-5-16(6-8-20)14-24-25-21(26)17-9-11-23-12-10-17/h1-12,14H,15H2,(H,25,26) |
| InChIK | BVDMYGGIOHGICC-UHFFFAOYSA-N |
| TotalMolweight | 356.384 |
| Molweight | 356.384 |
| MonoisotopicMass | 356.127326 |
| CLogP | 3.3844 |
| CLogS | -5.04 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 290.98 |
| Relative PSA | 0.24242 |
| PolarSurfaceArea | 87.37 |
| Druglikeness | -0.2595 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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