5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid

C14H13NO4 — CID 117222176

IUPAC5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c(=O)n(C)c2)cc1
InChIInChI=1S/C14H13NO4/c1-15-8-10(7-12(13(15)16)14(17)18)9-3-5-11(19-2)6-4-9/h3-8H,1-2H3,(H,17,18)
InChIKeyMJOUBSCGQGYBTG-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.76
Rot. Bonds3

About 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid

5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid (PubChem CID 117222176) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
PubChem CID117222176
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c(=O)n(C)c2)cc1
InChIInChI=1S/C14H13NO4/c1-15-8-10(7-12(13(15)16)14(17)18)9-3-5-11(19-2)6-4-9/h3-8H,1-2H3,(H,17,18)
InChIKeyMJOUBSCGQGYBTG-UHFFFAOYSA-N
XLogP1.76
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-hydroxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 117222147
3-acetyl-1-methyl-5-phenylpyridin-2-one
CID 24767090
2-ethenyl-5-(4-methoxyphenyl)benzoic acid
CID 91479677
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(1,3-dioxoisoindol-2-yl)-4-(4-methoxyphenyl)benzoic acid
CID 168518194
4-(4-methoxyphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333222
5-(4-methoxyphenyl)-1-methyl-2-propan-2-ylpyrrole-3-carboxylic acid
CID 82093513
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
1-hydroxy-2-oxo-5-phenylpyridine-3-carboxylic acid
CID 11299201
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
CID 135017986

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid (CID 117222176) is 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c(=O)n(C)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is MJOUBSCGQGYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-15-8-10(7-12(13(15)16)14(17)18)9-3-5-11(19-2)6-4-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid?
5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 117222176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).