N-[(Z)-(4-cyanophenyl)methylideneamino]pyridine-2-carboxamide
Formula:C14H10N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-cyanophenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-cyanophenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C14H10N4O |
| Smiles | N#Cc1ccc(/C=N\NC(c2ncccc2)=O)cc1 |
| InChI | InChI=1S/C14H10N4O/c15-9-11-4-6-12(7-5-11)10-17-18-14(19)13-3-1-2-8-16-13/h1-8,10H,(H,18,19) |
| InChIK | NZZBKKFCFZHYEX-UHFFFAOYSA-N |
| TotalMolweight | 250.26 |
| Molweight | 250.26 |
| MonoisotopicMass | 250.085461 |
| CLogP | 2.0903 |
| CLogS | -3.723 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 207.46 |
| Relative PSA | 0.29182 |
| PolarSurfaceArea | 78.14 |
| Druglikeness | 0.18871 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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