N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
Formula:C21H16N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C21H16N6O |
| Smiles | O=C(c1cnccc1)N/N=C\c1cn(-c2ccccc2)nc1-c1cnccc1 |
| InChI | InChI=1S/C21H16N6O/c28-21(17-7-5-11-23-13-17)25-24-14-18-15-27(19-8-2-1-3-9-19)26-20(18)16-6-4-10-22-12-16/h1-15H,(H,25,28) |
| InChIK | TYHBLDCWBBNDKJ-UHFFFAOYSA-N |
| TotalMolweight | 368.399 |
| Molweight | 368.399 |
| MonoisotopicMass | 368.138559 |
| CLogP | 2.1188 |
| CLogS | -3.644 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 291.99 |
| Relative PSA | 0.25956 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 5.9121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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