N-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C20H16N3O2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C20H16N3O2F |
| Smiles | O=C(c1ccncc1)N/N=C\c(cc1)ccc1OCc1cccc(F)c1 |
| InChI | InChI=1S/C20H16FN3O2/c21-18-3-1-2-16(12-18)14-26-19-6-4-15(5-7-19)13-23-24-20(25)17-8-10-22-11-9-17/h1-13H,14H2,(H,24,25) |
| InChIK | ARVOPGMWOVPOJC-UHFFFAOYSA-N |
| TotalMolweight | 349.364 |
| Molweight | 349.364 |
| MonoisotopicMass | 349.122655 |
| CLogP | 3.6496 |
| CLogS | -4.581 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 275.62 |
| Relative PSA | 0.20673 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 2.6805 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide | 2 - N-[(Z)-[4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off