N-[(Z)-quinoxalin-6-ylmethylideneamino]pyridine-4-carboxamide
Formula:C15H11N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-quinoxalin-6-ylmethylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-quinoxalin-6-ylmethylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C15H11N5O |
| Smiles | O=C(c1ccncc1)N/N=C\c1cc2nccnc2cc1 |
| InChI | InChI=1S/C15H11N5O/c21-15(12-3-5-16-6-4-12)20-19-10-11-1-2-13-14(9-11)18-8-7-17-13/h1-10H,(H,20,21) |
| InChIK | KJZNIEQYRQSOHT-UHFFFAOYSA-N |
| TotalMolweight | 277.286 |
| Molweight | 277.286 |
| MonoisotopicMass | 277.09636 |
| CLogP | 1.6383 |
| CLogS | -2.732 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 217.87 |
| Relative PSA | 0.31634 |
| PolarSurfaceArea | 80.13 |
| Druglikeness | 4.4687 |
| 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 | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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