2-N,6-N-bis[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide
Formula:C23H15N5O2F6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N,6-N-bis[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide is not a drug-like molecule.
| MolName | 2-N,6-N-bis[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide |
| MolecularFormula | C23H15N5O2F6 |
| Smiles | O=C(c1cccc(C(N/N=C\c2cccc(C(F)(F)F)c2)=O)n1)N/N=C\c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C23H15F6N5O2/c24-22(25,26)16-6-1-4-14(10-16)12-30-33-20(35)18-8-3-9-19(32-18)21(36)34-31-13-15-5-2-7-17(11-15)23(27,28)29/h1-13H,(H,33,35)(H,34,36) |
| InChIK | FFQJLPNPQUBMEI-UHFFFAOYSA-N |
| TotalMolweight | 507.393 |
| Molweight | 507.393 |
| MonoisotopicMass | 507.112993 |
| CLogP | 5.5473 |
| CLogS | -6.635 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 358.4 |
| Relative PSA | 0.23156 |
| PolarSurfaceArea | 95.81 |
| Druglikeness | -2.7213 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 19 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-N,6-N-bis[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide | 2 - 2-N,6-N-bis[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide
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