N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide
Formula:C19H16N6O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C19H16N6O |
| Smiles | N#CCCn(cc1/C=N\NC(c2ccncc2)=O)nc1-c1ccccc1 |
| InChI | InChI=1S/C19H16N6O/c20-9-4-12-25-14-17(18(24-25)15-5-2-1-3-6-15)13-22-23-19(26)16-7-10-21-11-8-16/h1-3,5-8,10-11,13-14H,4,12H2,(H,23,26) |
| InChIK | OYKHSALLRNLHFB-UHFFFAOYSA-N |
| TotalMolweight | 344.377 |
| Molweight | 344.377 |
| MonoisotopicMass | 344.138559 |
| CLogP | 1.9692 |
| CLogS | -3.894 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 282.7 |
| Relative PSA | 0.27726 |
| PolarSurfaceArea | 95.96 |
| Druglikeness | -0.67436 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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