N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide
Formula:C15H13N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C15H13N3O3 |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)cc2c1OCCO2 |
| InChI | InChI=1S/C15H13N3O3/c19-15(12-3-5-16-6-4-12)18-17-10-11-1-2-13-14(9-11)21-8-7-20-13/h1-6,9-10H,7-8H2,(H,18,19) |
| InChIK | LEPVURQMPXHNIV-UHFFFAOYSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 2.1795 |
| CLogS | -3.108 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 219.77 |
| Relative PSA | 0.30477 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | -2.8595 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off