N-(pyridin-3-ylmethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Formula:C16H13N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(pyridin-3-ylmethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-(pyridin-3-ylmethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide |
| MolecularFormula | C16H13N4O2F3 |
| Smiles | O=C(C(N/N=C\c1c(C(F)(F)F)cccc1)=O)NCc1cnccc1 |
| InChI | InChI=1S/C16H13F3N4O2/c17-16(18,19)13-6-2-1-5-12(13)10-22-23-15(25)14(24)21-9-11-4-3-7-20-8-11/h1-8,10H,9H2,(H,21,24)(H,23,25) |
| InChIK | JQVBDZCNHCJHGJ-UHFFFAOYSA-N |
| TotalMolweight | 350.299 |
| Molweight | 350.299 |
| MonoisotopicMass | 350.09906 |
| CLogP | 1.7007 |
| CLogS | -3.324 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 258.18 |
| Relative PSA | 0.27686 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | -3.1421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-(pyridin-3-ylmethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide | 2 - N-(pyridin-3-ylmethyl)-N'-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off