2-N,6-N-bis[(Z)-(4-bromophenyl)methylideneamino]pyridine-2,6-dicarboxamide
Formula:C21H15N5O2Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N,6-N-bis[(Z)-(4-bromophenyl)methylideneamino]pyridine-2,6-dicarboxamide is not a drug-like molecule.
| MolName | 2-N,6-N-bis[(Z)-(4-bromophenyl)methylideneamino]pyridine-2,6-dicarboxamide |
| MolecularFormula | C21H15N5O2Br2 |
| Smiles | O=C(c1cccc(C(N/N=C\c(cc2)ccc2Br)=O)n1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C21H15Br2N5O2/c22-16-8-4-14(5-9-16)12-24-27-20(29)18-2-1-3-19(26-18)21(30)28-25-13-15-6-10-17(23)11-7-15/h1-13H,(H,27,29)(H,28,30) |
| InChIK | NJMTZTLHBJZZLB-UHFFFAOYSA-N |
| TotalMolweight | 529.191 |
| Molweight | 529.191 |
| MonoisotopicMass | 526.959247 |
| CLogP | 5.3011 |
| CLogS | -6.747 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 336.74 |
| Relative PSA | 0.24645 |
| PolarSurfaceArea | 95.81 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-N,6-N-bis[(Z)-(4-bromophenyl)methylideneamino]pyridine-2,6-dicarboxamide | 2 - 2-N,6-N-bis[(Z)-(4-bromophenyl)methylideneamino]pyridine-2,6-dicarboxamide
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