5-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
Formula:C20H15N5O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide is not a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C20H15N5O6 |
| Smiles | [O-][N+](c1ccc(COc2ccc(/C=N\NC(c(cc3)ncc3[N+]([O-])=O)=O)cc2)cc1)=O |
| InChI | InChI=1S/C20H15N5O6/c26-20(19-10-7-17(12-21-19)25(29)30)23-22-11-14-3-8-18(9-4-14)31-13-15-1-5-16(6-2-15)24(27)28/h1-12H,13H2,(H,23,26) |
| InChIK | BKIKNIAYVJWXSG-UHFFFAOYSA-N |
| TotalMolweight | 421.368 |
| Molweight | 421.368 |
| MonoisotopicMass | 421.102235 |
| CLogP | 1.7596 |
| CLogS | -5.211 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 316.61 |
| Relative PSA | 0.37213 |
| PolarSurfaceArea | 155.22 |
| Druglikeness | -1.1157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 5-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide | 2 - 5-nitro-N-[(Z)-[4-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]pyridine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off