N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C21H17N5O5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-[2-(4-nitroanilino)-2-oxoethoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C21H17N5O5 |
| Smiles | [O-][N+](c(cc1)ccc1NC(COc1ccc(/C=N\NC(c2ccncc2)=O)cc1)=O)=O |
| InChI | InChI=1S/C21H17N5O5/c27-20(24-17-3-5-18(6-4-17)26(29)30)14-31-19-7-1-15(2-8-19)13-23-25-21(28)16-9-11-22-12-10-16/h1-13H,14H2,(H,24,27)(H,25,28) |
| InChIK | ZPRGDIQWFWDIHN-UHFFFAOYSA-N |
| TotalMolweight | 419.396 |
| Molweight | 419.396 |
| MonoisotopicMass | 419.12297 |
| CLogP | 2.0015 |
| CLogS | -4.678 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 322.15 |
| Relative PSA | 0.34735 |
| PolarSurfaceArea | 138.5 |
| Druglikeness | -0.43976 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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