2-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]pyridine-2,5-dicarboxamide
Formula:C17H13N5O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]pyridine-2,5-dicarboxamide is a drug-like molecule.
| MolName | 2-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]pyridine-2,5-dicarboxamide |
| MolecularFormula | C17H13N5O2S2 |
| Smiles | O=C(c(cc1)cnc1C(N/N=C\c1cccs1)=O)N/N=C\c1cccs1 |
| InChI | InChI=1S/C17H13N5O2S2/c23-16(21-19-10-13-3-1-7-25-13)12-5-6-15(18-9-12)17(24)22-20-11-14-4-2-8-26-14/h1-11H,(H,21,23)(H,22,24) |
| InChIK | HLTPEDBLNUOHED-UHFFFAOYSA-N |
| TotalMolweight | 383.455 |
| Molweight | 383.455 |
| MonoisotopicMass | 383.051065 |
| CLogP | 3.5299 |
| CLogS | -5.075 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 291.36 |
| Relative PSA | 0.4246 |
| PolarSurfaceArea | 152.29 |
| Druglikeness | 5.979 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]pyridine-2,5-dicarboxamide | 2 - 2-N,5-N-bis[(Z)-thiophen-2-ylmethylideneamino]pyridine-2,5-dicarboxamide
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