N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
Formula:C13H11N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide |
| MolecularFormula | C13H11N3O2 |
| Smiles | O=C(c1ccncc1)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C13H11N3O2/c17-13(11-5-8-14-9-6-11)16-15-7-1-3-12-4-2-10-18-12/h1-10H,(H,16,17) |
| InChIK | PDDIWLUJAMUWCT-UHFFFAOYSA-N |
| TotalMolweight | 241.249 |
| Molweight | 241.249 |
| MonoisotopicMass | 241.085127 |
| CLogP | 1.4077 |
| CLogS | -2.9 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 201.94 |
| Relative PSA | 0.30252 |
| PolarSurfaceArea | 67.49 |
| Druglikeness | 4.1634 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide | 2 - N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off