1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid

C15H15NO4 — CID 66244713

IUPAC1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(C(C)n2cc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C15H15NO4/c1-10(11-3-6-13(20-2)7-4-11)16-9-12(15(18)19)5-8-14(16)17/h3-10H,1-2H3,(H,18,19)
InChIKeyGPNWJNHEEPBQLC-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.16
Rot. Bonds4

About 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid

1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 66244713) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid
PubChem CID66244713
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(C(C)n2cc(C(=O)O)ccc2=O)cc1
InChIInChI=1S/C15H15NO4/c1-10(11-3-6-13(20-2)7-4-11)16-9-12(15(18)19)5-8-14(16)17/h3-10H,1-2H3,(H,18,19)
InChIKeyGPNWJNHEEPBQLC-UHFFFAOYSA-N
XLogP2.16
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-methoxyphenyl)ethyl]pyridin-2-one
CID 102218490
1-(2-methoxy-2-oxo-1-phenylethyl)-6-oxopyridine-3-carboxylic acid
CID 62109020
4-[4-[1-(4-methoxyphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2771200
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
1-(4-methoxyphenyl)-2-methylsulfinylpropan-1-one
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3-[1-(4-methoxyphenyl)ethyl]-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 56771852
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
(2S)-1,2-bis(4-methoxyphenyl)-3-methylbutan-1-one
CID 125480635
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
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4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid (CID 66244713) is 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid is COc1ccc(C(C)n2cc(C(=O)O)ccc2=O)cc1.
What is the InChIKey of 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is GPNWJNHEEPBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10(11-3-6-13(20-2)7-4-11)16-9-12(15(18)19)5-8-14(16)17/h3-10H,1-2H3,(H,18,19).
What are the key properties of 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid?
1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)ethyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 66244713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).