N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]pyridine-4-carboxamide
Formula:C15H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-benzylidenehydrazinyl]-2-oxoethyl]pyridine-4-carboxamide |
| MolecularFormula | C15H14N4O2 |
| Smiles | O=C(CNC(c1ccncc1)=O)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C15H14N4O2/c20-14(19-18-10-12-4-2-1-3-5-12)11-17-15(21)13-6-8-16-9-7-13/h1-10H,11H2,(H,17,21)(H,19,20) |
| InChIK | UTZMTQBWDYNBJN-UHFFFAOYSA-N |
| TotalMolweight | 282.302 |
| Molweight | 282.302 |
| MonoisotopicMass | 282.111676 |
| CLogP | 1.2844 |
| CLogS | -2.693 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 228.72 |
| Relative PSA | 0.31252 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 5.3287 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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