methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate

C14H13NO4 — CID 661040

IUPACmethyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C14H13NO4/c1-18-12-6-4-11(5-7-12)15-9-10(14(17)19-2)3-8-13(15)16/h3-9H,1-2H3
InChIKeyDQUHSMOZNGMOFG-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.63
Rot. Bonds3

About methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate

methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate (PubChem CID 661040) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate
PubChem CID661040
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Namemethyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1
InChIInChI=1S/C14H13NO4/c1-18-12-6-4-11(5-7-12)15-9-10(14(17)19-2)3-8-13(15)16/h3-9H,1-2H3
InChIKeyDQUHSMOZNGMOFG-UHFFFAOYSA-N
XLogP1.63
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2736758
6-Methoxy-2-oxo-1,2-dihydro-1-quinolineacetic acid
CID 13683078
1-(4-(4-Methoxyphenyl)piperazin-1-yl)ethanone
CID 831828
2(1H)-Quinolinone, 1-ethyl-6-methoxy-
CID 114297
N-(4-Ethoxyphenyl)maleimide
CID 29407
4-Methacryloyl-oxyacetanilide
CID 216863
4-(Acetylamino)phenyl dimethylcarbamate
CID 656203
N-(4-methoxyphenyl)-2-oxo-1-propylpyridine-3-carboxamide
CID 1486129
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 2449806
Methyl 4-(4-methoxyphenyl)piperazine-1-carboxylate
CID 1246650
1-(4-Methoxyphenyl)-6-methyl-4-oxo-1,4-dihydro-3-pyridinecarboxylic acid
CID 1489805
5-Hydroxy-1-(4-methoxyphenyl)-2-methylpyridin-4-one
CID 130407915

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate (CID 661040) is methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1.
What is the InChIKey of methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is DQUHSMOZNGMOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-12-6-4-11(5-7-12)15-9-10(14(17)19-2)3-8-13(15)16/h3-9H,1-2H3.
What are the key properties of methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate?
methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 259.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxyphenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 661040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).