5-bromo-N-[(E)-pyridin-4-ylmethylideneamino]pyridine-3-carboxamide
Formula:C12H9N4OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-bromo-N-[(E)-pyridin-4-ylmethylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(E)-pyridin-4-ylmethylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C12H9N4OBr |
| Smiles | O=C(c1cc(Br)cnc1)N/N=C/c1ccncc1 |
| InChI | InChI=1S/C12H9BrN4O/c13-11-5-10(7-15-8-11)12(18)17-16-6-9-1-3-14-4-2-9/h1-8H,(H,17,18) |
| InChIK | CIGRRILERNKISL-UHFFFAOYSA-N |
| TotalMolweight | 305.134 |
| Molweight | 305.134 |
| MonoisotopicMass | 303.995972 |
| CLogP | 1.925 |
| CLogS | -2.965 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 203.14 |
| Relative PSA | 0.28527 |
| PolarSurfaceArea | 67.24 |
| Druglikeness | 2.6787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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