N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide
Formula:C16H14N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide is a drug-like molecule.
| MolName | N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide |
| MolecularFormula | C16H14N4O4 |
| Smiles | O=C(CNC(c(cc1)cc2c1OCO2)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H14N4O4/c21-15(20-19-8-11-2-1-5-17-7-11)9-18-16(22)12-3-4-13-14(6-12)24-10-23-13/h1-8H,9-10H2,(H,18,22)(H,20,21) |
| InChIK | MYNPDCUYXBYOCJ-UHFFFAOYSA-N |
| TotalMolweight | 326.311 |
| Molweight | 326.311 |
| MonoisotopicMass | 326.101506 |
| CLogP | 1.3958 |
| CLogS | -3.404 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 248.98 |
| Relative PSA | 0.36742 |
| PolarSurfaceArea | 101.91 |
| Druglikeness | 5.1939 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide | 2 - N-[2-oxo-2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]ethyl]-1,3-benzodioxole-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off