N-[(Z)-[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide
Formula:C24H23N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C24H23N3O3 |
| Smiles | C=CCc(cccc1)c1OCCOc1c(/C=N\NC(c2ccncc2)=O)cccc1 |
| InChI | InChI=1S/C24H23N3O3/c1-2-7-19-8-3-5-10-22(19)29-16-17-30-23-11-6-4-9-21(23)18-26-27-24(28)20-12-14-25-15-13-20/h2-6,8-15,18H,1,7,16-17H2,(H,27,28) |
| InChIK | HDCRWXYDIKHZIY-UHFFFAOYSA-N |
| TotalMolweight | 401.465 |
| Molweight | 401.465 |
| MonoisotopicMass | 401.173942 |
| CLogP | 4.5841 |
| CLogS | -4.906 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 331.33 |
| Relative PSA | 0.20215 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | -5.6558 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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