N-[(Z)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C21H18N4O5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[2-(4-nitrophenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C21H18N4O5 |
| Smiles | [O-][N+](c(cc1)ccc1OCCOc1c(/C=N\NC(c2ccncc2)=O)cccc1)=O |
| InChI | InChI=1S/C21H18N4O5/c26-21(16-9-11-22-12-10-16)24-23-15-17-3-1-2-4-20(17)30-14-13-29-19-7-5-18(6-8-19)25(27)28/h1-12,15H,13-14H2,(H,24,26) |
| InChIK | KHAPIKBUZYHPLV-UHFFFAOYSA-N |
| TotalMolweight | 406.397 |
| Molweight | 406.397 |
| MonoisotopicMass | 406.127721 |
| CLogP | 2.6341 |
| CLogS | -4.654 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 316.7 |
| Relative PSA | 0.30755 |
| PolarSurfaceArea | 118.63 |
| Druglikeness | -7.9957 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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