N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C18H12N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C18H12N4O2 |
| Smiles | N#Cc(cccc1)c1-c1ccc(/C=N\NC(c2cnccc2)=O)o1 |
| InChI | InChI=1S/C18H12N4O2/c19-10-13-4-1-2-6-16(13)17-8-7-15(24-17)12-21-22-18(23)14-5-3-9-20-11-14/h1-9,11-12H,(H,22,23) |
| InChIK | QPAGEADXJOPPGH-UHFFFAOYSA-N |
| TotalMolweight | 316.319 |
| Molweight | 316.319 |
| MonoisotopicMass | 316.096026 |
| CLogP | 2.9752 |
| CLogS | -5.159 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 256.91 |
| Relative PSA | 0.29057 |
| PolarSurfaceArea | 91.28 |
| Druglikeness | 2.1883 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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