2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid

C17H19NO4 — CID 82517930

IUPAC2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
SMILESCCOc1ccc(-c2ccc(CC(=O)O)c(=O)n2CC)cc1
InChIInChI=1S/C17H19NO4/c1-3-18-15(10-7-13(17(18)21)11-16(19)20)12-5-8-14(9-6-12)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyKESYLSFWAUGXEZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.56
Rot. Bonds6

About 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid

2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid (PubChem CID 82517930) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
PubChem CID82517930
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
SMILESCCOc1ccc(-c2ccc(CC(=O)O)c(=O)n2CC)cc1
InChIInChI=1S/C17H19NO4/c1-3-18-15(10-7-13(17(18)21)11-16(19)20)12-5-8-14(9-6-12)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,20)
InChIKeyKESYLSFWAUGXEZ-UHFFFAOYSA-N
XLogP2.56
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid
CID 82089839
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
3-(aminomethyl)-6-(4-ethoxyphenyl)-1-ethyl-4-methylpyridin-2-one
CID 82189704
3-(chloromethyl)-6-(4-ethoxyphenyl)-1-methylpyridin-2-one
CID 82517951
6-(4-ethoxyphenyl)-1,3-dimethylpyridin-2-one
CID 149000384
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403
2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
CID 158452584
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501
N-(diaminomethylidene)-2-[2-(4-ethoxyphenyl)-5-phenylpyrrol-1-yl]acetamide
CID 11646236
2-[6-(4-ethoxyphenyl)-1-methyl-2-oxo-3-pyridinyl]acetonitrile
CID 82517950

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid (CID 82517930) is 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid is CCOc1ccc(-c2ccc(CC(=O)O)c(=O)n2CC)cc1.
What is the InChIKey of 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid?
The InChIKey is KESYLSFWAUGXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-18-15(10-7-13(17(18)21)11-16(19)20)12-5-8-14(9-6-12)22-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,20).
What are the key properties of 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid?
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid has a molecular weight of 301.34 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid is sourced from PubChem (CID 82517930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).