N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]pyridine-4-carboxamide
Formula:C14H13N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]pyridine-4-carboxamide |
| MolecularFormula | C14H13N5O2 |
| Smiles | O=C(CNC(c1ccncc1)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C14H13N5O2/c20-13(19-18-9-11-2-1-5-16-8-11)10-17-14(21)12-3-6-15-7-4-12/h1-9H,10H2,(H,17,21)(H,19,20) |
| InChIK | RCSVJBMOZJTMDY-UHFFFAOYSA-N |
| TotalMolweight | 283.29 |
| Molweight | 283.29 |
| MonoisotopicMass | 283.106925 |
| CLogP | 0.2835 |
| CLogS | -1.898 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 227.48 |
| Relative PSA | 0.36245 |
| PolarSurfaceArea | 96.34 |
| 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 | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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