N-[(E)-[(2E)-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
Formula:C14H12N6O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(E)-[(2E)-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[(2E)-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide |
| MolecularFormula | C14H12N6O2 |
| Smiles | O=C(c1ccncc1)N/N=C/C=N/NC(c1ccncc1)=O |
| InChI | InChI=1S/C14H12N6O2/c21-13(11-1-5-15-6-2-11)19-17-9-10-18-20-14(22)12-3-7-16-8-4-12/h1-10H,(H,19,21)(H,20,22) |
| InChIK | XHXCXDVWEDOXEB-UHFFFAOYSA-N |
| TotalMolweight | 296.289 |
| Molweight | 296.289 |
| MonoisotopicMass | 296.102174 |
| CLogP | -0.0852 |
| CLogS | -2.372 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 238.48 |
| Relative PSA | 0.394 |
| PolarSurfaceArea | 108.7 |
| Druglikeness | 4.4687 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 13 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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