2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
Formula:C14H11N4O2F3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide |
| MolecularFormula | C14H11N4O2F3 |
| Smiles | O=C(CN(C=C(C(F)(F)F)C=C1)C1=O)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C14H11F3N4O2/c15-14(16,17)10-4-5-13(23)21(8-10)9-12(22)20-19-7-11-3-1-2-6-18-11/h1-8H,9H2,(H,20,22) |
| InChIK | BVTLHCHQSDLQJQ-UHFFFAOYSA-N |
| TotalMolweight | 324.261 |
| Molweight | 324.261 |
| MonoisotopicMass | 324.08341 |
| CLogP | 1.0528 |
| CLogS | -2.701 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 234.97 |
| Relative PSA | 0.27055 |
| PolarSurfaceArea | 74.66 |
| Druglikeness | -1.8024 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide | 2 - 2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
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