N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]pyridine-3-carboxamide
Formula:C18H13N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(5-nitropyridin-2-yl)oxyphenyl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C18H13N5O4 |
| Smiles | [O-][N+](c(cc1)cnc1Oc1ccc(/C=N\NC(c2cnccc2)=O)cc1)=O |
| InChI | InChI=1S/C18H13N5O4/c24-18(14-2-1-9-19-11-14)22-21-10-13-3-6-16(7-4-13)27-17-8-5-15(12-20-17)23(25)26/h1-12H,(H,22,24) |
| InChIK | UEOQXAHFABRAIU-UHFFFAOYSA-N |
| TotalMolweight | 363.332 |
| Molweight | 363.332 |
| MonoisotopicMass | 363.096755 |
| CLogP | 2.0252 |
| CLogS | -5.413 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 277.94 |
| Relative PSA | 0.35393 |
| PolarSurfaceArea | 122.29 |
| Druglikeness | -0.8595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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