N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
Formula:C14H10N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C14H10N3OF3 |
| Smiles | O=C(c1ncccc1)N/N=C\c1cccc(C(F)(F)F)c1 |
| InChI | InChI=1S/C14H10F3N3O/c15-14(16,17)11-5-3-4-10(8-11)9-19-20-13(21)12-6-1-2-7-18-12/h1-9H,(H,20,21) |
| InChIK | RGYNONXFCPUILP-UHFFFAOYSA-N |
| TotalMolweight | 293.247 |
| Molweight | 293.247 |
| MonoisotopicMass | 293.077596 |
| CLogP | 3.103 |
| CLogS | -3.728 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 215.21 |
| Relative PSA | 0.2183 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | -2.7213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide | 2 - N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2-carboxamide
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