2-N,6-N-bis[(Z)-(3-nitrophenyl)methylideneamino]pyridine-2,6-dicarboxamide
Formula:C21H15N7O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N,6-N-bis[(Z)-(3-nitrophenyl)methylideneamino]pyridine-2,6-dicarboxamide is not a drug-like molecule.
| MolName | 2-N,6-N-bis[(Z)-(3-nitrophenyl)methylideneamino]pyridine-2,6-dicarboxamide |
| MolecularFormula | C21H15N7O6 |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c2cccc(C(N/N=C\c3cccc([N+]([O-])=O)c3)=O)n2)=O)c1)=O |
| InChI | InChI=1S/C21H15N7O6/c29-20(25-22-12-14-4-1-6-16(10-14)27(31)32)18-8-3-9-19(24-18)21(30)26-23-13-15-5-2-7-17(11-15)28(33)34/h1-13H,(H,25,29)(H,26,30) |
| InChIK | GYRFLZPUNLQWGA-UHFFFAOYSA-N |
| TotalMolweight | 461.393 |
| Molweight | 461.393 |
| MonoisotopicMass | 461.108383 |
| CLogP | 2.0075 |
| CLogS | -5.999 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 346.82 |
| Relative PSA | 0.41471 |
| PolarSurfaceArea | 187.45 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 16 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-N,6-N-bis[(Z)-(3-nitrophenyl)methylideneamino]pyridine-2,6-dicarboxamide | 2 - 2-N,6-N-bis[(Z)-(3-nitrophenyl)methylideneamino]pyridine-2,6-dicarboxamide
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