N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide
Formula:C20H15N3O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C20H15N3O2 |
| Smiles | C#CCOc1c(/C=N\NC(c2cnccc2)=O)c2ccccc2cc1 |
| InChI | InChI=1S/C20H15N3O2/c1-2-12-25-19-10-9-15-6-3-4-8-17(15)18(19)14-22-23-20(24)16-7-5-11-21-13-16/h1,3-11,13-14H,12H2,(H,23,24) |
| InChIK | JJQFXWPPBPIZKK-UHFFFAOYSA-N |
| TotalMolweight | 329.358 |
| Molweight | 329.358 |
| MonoisotopicMass | 329.116427 |
| CLogP | 3.3523 |
| CLogS | -5.174 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 267.92 |
| Relative PSA | 0.21268 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.0397 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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