5-bromo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C17H11N4O4Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-bromo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 5-bromo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C17H11N4O4Br |
| Smiles | [O-][N+](c(cc1)ccc1-c1ccc(/C=N\NC(c2cc(Br)cnc2)=O)o1)=O |
| InChI | InChI=1S/C17H11BrN4O4/c18-13-7-12(8-19-9-13)17(23)21-20-10-15-5-6-16(26-15)11-1-3-14(4-2-11)22(24)25/h1-10H,(H,21,23) |
| InChIK | OASBYVQKGAQFRT-UHFFFAOYSA-N |
| TotalMolweight | 415.202 |
| Molweight | 415.202 |
| MonoisotopicMass | 413.996367 |
| CLogP | 2.9432 |
| CLogS | -5.68 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 277.5 |
| Relative PSA | 0.32977 |
| PolarSurfaceArea | 113.31 |
| Druglikeness | -0.40999 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-bromo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide | 2 - 5-bromo-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off