N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
Formula:C17H17N5O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-morpholin-4-yl-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C17H17N5O4 |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2ccncc2)=O)c1N1CCOCC1)=O |
| InChI | InChI=1S/C17H17N5O4/c23-17(13-3-5-18-6-4-13)20-19-12-14-11-15(22(24)25)1-2-16(14)21-7-9-26-10-8-21/h1-6,11-12H,7-10H2,(H,20,23) |
| InChIK | DJBNPGJSKJRXLG-UHFFFAOYSA-N |
| TotalMolweight | 355.353 |
| Molweight | 355.353 |
| MonoisotopicMass | 355.128055 |
| CLogP | 0.9481 |
| CLogS | -3.489 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 271.26 |
| Relative PSA | 0.33529 |
| PolarSurfaceArea | 112.64 |
| Druglikeness | 0.014355 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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