1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid

C17H19NO4 — CID 82517790

IUPAC1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
SMILESCCCOc1ccc(-c2ccc(C(=O)O)c(=O)n2CC)cc1
InChIInChI=1S/C17H19NO4/c1-3-11-22-13-7-5-12(6-8-13)15-10-9-14(17(20)21)16(19)18(15)4-2/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyYBVJDDGTOMZSQG-UHFFFAOYSA-N
MW301.34 g/mol
LogP3.02
Rot. Bonds6

About 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid

1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 82517790) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
PubChem CID82517790
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
SMILESCCCOc1ccc(-c2ccc(C(=O)O)c(=O)n2CC)cc1
InChIInChI=1S/C17H19NO4/c1-3-11-22-13-7-5-12(6-8-13)15-10-9-14(17(20)21)16(19)18(15)4-2/h5-10H,3-4,11H2,1-2H3,(H,20,21)
InChIKeyYBVJDDGTOMZSQG-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethoxyphenyl)-1-ethylpyrrole-2-carboxylic acid
CID 82089839
6-(4-methoxyphenyl)-2-oxo-1-prop-2-ynylpyridine-3-carboxylic acid
CID 82099856
2-(4-propoxyphenyl)benzoic acid
CID 62802761
1-(2-carboxyethyl)-6-(4-methylphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099726
3-acetyl-1-ethyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518736
6-(4-methylphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099715
7-butoxy-4-oxoquinolizine-3-carboxylic acid
CID 15632096
1-butyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carbonitrile
CID 82517769
6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid
CID 82168270
1-(2,2-dimethoxyethyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 19695842
6-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carboxylic acid
CID 82519998
3-(4-propoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 82062009

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid (CID 82517790) is 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid is CCCOc1ccc(-c2ccc(C(=O)O)c(=O)n2CC)cc1.
What is the InChIKey of 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is YBVJDDGTOMZSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-3-11-22-13-7-5-12(6-8-13)15-10-9-14(17(20)21)16(19)18(15)4-2/h5-10H,3-4,11H2,1-2H3,(H,20,21).
What are the key properties of 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid?
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 301.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 82517790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).