N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide
Formula:C22H17N5O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1,3-diphenylpyrazol-4-yl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C22H17N5O |
| Smiles | O=C(c1ccncc1)N/N=C\c1cn(-c2ccccc2)nc1-c1ccccc1 |
| InChI | InChI=1S/C22H17N5O/c28-22(18-11-13-23-14-12-18)25-24-15-19-16-27(20-9-5-2-6-10-20)26-21(19)17-7-3-1-4-8-17/h1-16H,(H,25,28) |
| InChIK | WGJLDGXBPUWGKB-UHFFFAOYSA-N |
| TotalMolweight | 367.411 |
| Molweight | 367.411 |
| MonoisotopicMass | 367.14331 |
| CLogP | 3.1197 |
| CLogS | -4.439 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 293.23 |
| Relative PSA | 0.22106 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 5.9121 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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