N-[(Z)-(1-benzyl-5-cyano-4H-pyridin-3-yl)methylideneamino]pyridine-4-carboxamide
Formula:C20H17N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(1-benzyl-5-cyano-4H-pyridin-3-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-benzyl-5-cyano-4H-pyridin-3-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C20H17N5O |
| Smiles | N#CC(C1)=CN(Cc2ccccc2)C=C1/C=N\NC(c1ccncc1)=O |
| InChI | InChI=1S/C20H17N5O/c21-11-17-10-18(12-23-24-20(26)19-6-8-22-9-7-19)15-25(14-17)13-16-4-2-1-3-5-16/h1-9,12,14-15H,10,13H2,(H,24,26) |
| InChIK | YASIZADVOUCGMX-UHFFFAOYSA-N |
| TotalMolweight | 343.389 |
| Molweight | 343.389 |
| MonoisotopicMass | 343.14331 |
| CLogP | 1.4753 |
| CLogS | -3.624 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 281.2 |
| Relative PSA | 0.22792 |
| PolarSurfaceArea | 81.38 |
| Druglikeness | 1.8156 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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