N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide
Formula:C16H13N5O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C16H13N5O |
| Smiles | O=C(c1cnccc1)N/N=C\c1cn(-c2ccccc2)nc1 |
| InChI | InChI=1S/C16H13N5O/c22-16(14-5-4-8-17-11-14)20-18-9-13-10-19-21(12-13)15-6-2-1-3-7-15/h1-12H,(H,20,22) |
| InChIK | MITNQKWGHDCYDH-UHFFFAOYSA-N |
| TotalMolweight | 291.313 |
| Molweight | 291.313 |
| MonoisotopicMass | 291.11201 |
| CLogP | 1.3695 |
| CLogS | -2.661 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 233.47 |
| Relative PSA | 0.27764 |
| PolarSurfaceArea | 72.17 |
| Druglikeness | 5.7039 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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