N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]pyridine-4-carboxamide
Formula:C19H16N4O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C19H16N4O3S |
| Smiles | O=C(CSc1ccc(/C=N\NC(c2ccncc2)=O)o1)Nc1ccccc1 |
| InChI | InChI=1S/C19H16N4O3S/c24-17(22-15-4-2-1-3-5-15)13-27-18-7-6-16(26-18)12-21-23-19(25)14-8-10-20-11-9-14/h1-12H,13H2,(H,22,24)(H,23,25) |
| InChIK | QRASBUCOWAMQLY-UHFFFAOYSA-N |
| TotalMolweight | 380.427 |
| Molweight | 380.427 |
| MonoisotopicMass | 380.094311 |
| CLogP | 2.8471 |
| CLogS | -4.425 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 295.66 |
| Relative PSA | 0.34864 |
| PolarSurfaceArea | 121.89 |
| Druglikeness | 7.2255 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[5-(2-anilino-2-oxoethyl)sulfanylfuran-2-yl]methylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off