3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one

C18H16N2O2 — CID 54688734

IUPAC3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one
SMILESCCc1c(O)cc(-c2cccnc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H16N2O2/c1-2-15-17(21)11-16(13-7-6-10-19-12-13)20(18(15)22)14-8-4-3-5-9-14/h3-12,21H,2H2,1H3
InChIKeyZICCATFUQUTYCA-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.17
Rot. Bonds3

About 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one

3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one (PubChem CID 54688734) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one
PubChem CID54688734
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one
SMILESCCc1c(O)cc(-c2cccnc2)n(-c2ccccc2)c1=O
InChIInChI=1S/C18H16N2O2/c1-2-15-17(21)11-16(13-7-6-10-19-12-13)20(18(15)22)14-8-4-3-5-9-14/h3-12,21H,2H2,1H3
InChIKeyZICCATFUQUTYCA-UHFFFAOYSA-N
XLogP3.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one?
The IUPAC name of 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one (CID 54688734) is 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one.
What is the SMILES notation for 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one?
The canonical SMILES for 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one is CCc1c(O)cc(-c2cccnc2)n(-c2ccccc2)c1=O.
What is the InChIKey of 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one?
The InChIKey is ZICCATFUQUTYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-2-15-17(21)11-16(13-7-6-10-19-12-13)20(18(15)22)14-8-4-3-5-9-14/h3-12,21H,2H2,1H3.
What are the key properties of 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one?
3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one has a molecular weight of 292.34 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-1-phenyl-6-pyridin-3-ylpyridin-2-one is sourced from PubChem (CID 54688734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).