5-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
Formula:C20H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 5-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C20H16N4O4 |
| Smiles | [O-][N+](c(cc1)cnc1C(N/N=C\c(cc1)ccc1OCc1ccccc1)=O)=O |
| InChI | InChI=1S/C20H16N4O4/c25-20(19-11-8-17(13-21-19)24(26)27)23-22-12-15-6-9-18(10-7-15)28-14-16-4-2-1-3-5-16/h1-13H,14H2,(H,23,25) |
| InChIK | QDXUXOLFNLGQHA-UHFFFAOYSA-N |
| TotalMolweight | 376.371 |
| Molweight | 376.371 |
| MonoisotopicMass | 376.117156 |
| CLogP | 2.6812 |
| CLogS | -4.751 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 292.94 |
| Relative PSA | 0.29835 |
| PolarSurfaceArea | 109.4 |
| Druglikeness | -1.1157 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide | 2 - 5-nitro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]pyridine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off