N-[3-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)methylideneamino]phenyl]acetamide
Formula:C17H16N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[3-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)methylideneamino]phenyl]acetamide is a drug-like molecule.
| MolName | N-[3-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)methylideneamino]phenyl]acetamide |
| MolecularFormula | C17H16N4O3 |
| Smiles | CC(Nc1cccc(/N=C/C(C(C)=C(C(N2C)=O)C#N)=C2O)c1)=O |
| InChI | InChI=1S/C17H16N4O3/c1-10-14(8-18)16(23)21(3)17(24)15(10)9-19-12-5-4-6-13(7-12)20-11(2)22/h4-7,9,24H,1-3H3,(H,20,22) |
| InChIK | GRNYHXRHSMYGEL-UHFFFAOYSA-N |
| TotalMolweight | 324.339 |
| Molweight | 324.339 |
| MonoisotopicMass | 324.122241 |
| CLogP | 0.6498 |
| CLogS | -3.52 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 252.46 |
| Relative PSA | 0.31395 |
| PolarSurfaceArea | 105.79 |
| Druglikeness | 0.73539 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[3-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)methylideneamino]phenyl]acetamide | 2 - N-[3-[(5-cyano-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)methylideneamino]phenyl]acetamide
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