3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one

C21H19NO3 — CID 54687637

IUPAC3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one
SMILESCCc1c(O)c(C(C)=O)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H19NO3/c1-3-17-19(15-10-6-4-7-11-15)22(16-12-8-5-9-13-16)21(25)18(14(2)23)20(17)24/h4-13,24H,3H2,1-2H3
InChIKeyBJGVMWXAKAXKGB-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.98
Rot. Bonds4

About 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one

3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one (PubChem CID 54687637) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one
PubChem CID54687637
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one
SMILESCCc1c(O)c(C(C)=O)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C21H19NO3/c1-3-17-19(15-10-6-4-7-11-15)22(16-12-8-5-9-13-16)21(25)18(14(2)23)20(17)24/h4-13,24H,3H2,1-2H3
InChIKeyBJGVMWXAKAXKGB-UHFFFAOYSA-N
XLogP3.98
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one?
The IUPAC name of 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one (CID 54687637) is 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one.
What is the SMILES notation for 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one?
The canonical SMILES for 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one is CCc1c(O)c(C(C)=O)c(=O)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one?
The InChIKey is BJGVMWXAKAXKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-3-17-19(15-10-6-4-7-11-15)22(16-12-8-5-9-13-16)21(25)18(14(2)23)20(17)24/h4-13,24H,3H2,1-2H3.
What are the key properties of 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one?
3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one has a molecular weight of 333.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-5-ethyl-4-hydroxy-1,6-diphenylpyridin-2-one is sourced from PubChem (CID 54687637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).