2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid

C16H17NO3 — CID 82520331

IUPAC2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
SMILESCc1ccc(-c2ccc(CC(=O)O)c(=O)n2C)c(C)c1
InChIInChI=1S/C16H17NO3/c1-10-4-6-13(11(2)8-10)14-7-5-12(9-15(18)19)16(20)17(14)3/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyIPBBTRKUEKGPMB-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.30
Rot. Bonds3

About 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid

2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid (PubChem CID 82520331) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
PubChem CID82520331
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid
SMILESCc1ccc(-c2ccc(CC(=O)O)c(=O)n2C)c(C)c1
InChIInChI=1S/C16H17NO3/c1-10-4-6-13(11(2)8-10)14-7-5-12(9-15(18)19)16(20)17(14)3/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyIPBBTRKUEKGPMB-UHFFFAOYSA-N
XLogP2.30
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dimethylphenyl)-1-methylpyrrole-2-carboxylic acid
CID 43671773
6-(2,4-dimethylphenyl)-1-ethyl-3-(hydroxymethyl)pyridin-2-one
CID 82520319
1-butyl-6-(2,4-dimethylphenyl)-3-(hydroxymethyl)pyridin-2-one
CID 82520240
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-(2-hydroxyethyl)pyridin-2-one
CID 82189332
3-(aminomethyl)-6-(2,4-dimethylphenyl)-1-pentylpyridin-2-one
CID 82520208
6-(4-hydroxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 148609318
3-(aminomethyl)-6-(2-methoxy-5-methylphenyl)-1-methylpyridin-2-one
CID 82517476
6-(2,5-dimethylphenyl)-1-methyl-3-[(2-methylpropylamino)methyl]pyridin-2-one
CID 82519945
3-[6-(2,4-dimethylphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoyl chloride
CID 82443918
6-(2,4-dimethylphenyl)-1,3-dimethylpyrimidine-2,4-dione
CID 15326624
2-[6-(2,4-dimethylphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetonitrile
CID 82520309
3-[1-methyl-6-(4-methylphenyl)-2-oxo-3-pyridinyl]propanoyl chloride
CID 82520912

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid (CID 82520331) is 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid is Cc1ccc(-c2ccc(CC(=O)O)c(=O)n2C)c(C)c1.
What is the InChIKey of 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid?
The InChIKey is IPBBTRKUEKGPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-10-4-6-13(11(2)8-10)14-7-5-12(9-15(18)19)16(20)17(14)3/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid?
2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,4-dimethylphenyl)-1-methyl-2-oxo-3-pyridinyl]acetic acid is sourced from PubChem (CID 82520331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).