3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid

C16H14N2O4 — CID 82099345

IUPAC3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
SMILESCOc1ccccc1-c1ccc(C#N)c(=O)n1CCC(=O)O
InChIInChI=1S/C16H14N2O4/c1-22-14-5-3-2-4-12(14)13-7-6-11(10-17)16(21)18(13)9-8-15(19)20/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyMCGQOQSSQHPBBR-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.87
Rot. Bonds5

About 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid

3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid (PubChem CID 82099345) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
PubChem CID82099345
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid
SMILESCOc1ccccc1-c1ccc(C#N)c(=O)n1CCC(=O)O
InChIInChI=1S/C16H14N2O4/c1-22-14-5-3-2-4-12(14)13-7-6-11(10-17)16(21)18(13)9-8-15(19)20/h2-7H,8-9H2,1H3,(H,19,20)
InChIKeyMCGQOQSSQHPBBR-UHFFFAOYSA-N
XLogP1.87
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-6-(2-ethoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82518797
3-[3-cyano-6-(4-fluorophenyl)-2-oxo-1-pyridinyl]propanoic acid
CID 82099191
1-butyl-6-(2-methoxyphenyl)-2-oxopyridine-3-carboxylic acid
CID 82099895
2-[3-cyano-6-(4-methoxyphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82099283
6-(2-methoxyphenyl)-2-oxo-1-propylpyridine-3-carbonyl chloride
CID 82518972
5-(3-cyano-6-methyl-2-oxo-1-pyridinyl)pentanoic acid
CID 82147473
1-ethyl-5-(2-methoxyphenyl)pyrrole-2-carboxylic acid
CID 82085731
propan-2-yl 2-(3-cyano-2-oxo-6-phenyl-1-pyridinyl)acetate
CID 82099014
6-(2-methoxyphenyl)-2-oxo-1-prop-2-enylpyridine-3-carboxylic acid
CID 82099893
1-[2-(dimethylamino)ethyl]-2-oxo-6-phenylpyridine-3-carbonitrile
CID 82099044
1-(2-hydroxyethyl)-6-(3-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 82147126
3-(aminomethyl)-6-(2-methoxyphenyl)-1-(3-methoxypropyl)pyridin-2-one
CID 82189395

Frequently Asked Questions

What is the IUPAC name of 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid?
The IUPAC name of 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid (CID 82099345) is 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid?
The canonical SMILES for 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid is COc1ccccc1-c1ccc(C#N)c(=O)n1CCC(=O)O.
What is the InChIKey of 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid?
The InChIKey is MCGQOQSSQHPBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-14-5-3-2-4-12(14)13-7-6-11(10-17)16(21)18(13)9-8-15(19)20/h2-7H,8-9H2,1H3,(H,19,20).
What are the key properties of 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid?
3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid has a molecular weight of 298.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyano-6-(2-methoxyphenyl)-2-oxo-1-pyridinyl]propanoic acid is sourced from PubChem (CID 82099345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).