N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C20H22N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C20H22N4O3 |
| Smiles | O=C(COc1ccc(/C=N\NC(c2ccncc2)=O)cc1)N1CCCCC1 |
| InChI | InChI=1S/C20H22N4O3/c25-19(24-12-2-1-3-13-24)15-27-18-6-4-16(5-7-18)14-22-23-20(26)17-8-10-21-11-9-17/h4-11,14H,1-3,12-13,15H2,(H,23,26) |
| InChIK | MXRLGUCOEUIYFF-UHFFFAOYSA-N |
| TotalMolweight | 366.42 |
| Molweight | 366.42 |
| MonoisotopicMass | 366.169191 |
| CLogP | 2.6139 |
| CLogS | -3.305 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 292.86 |
| Relative PSA | 0.25121 |
| PolarSurfaceArea | 83.89 |
| Druglikeness | 4.6105 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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