2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid

C18H21NO3 — CID 82521071

IUPAC2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
SMILESCC(C)CCn1c(-c2ccccc2)ccc(CC(=O)O)c1=O
InChIInChI=1S/C18H21NO3/c1-13(2)10-11-19-16(14-6-4-3-5-7-14)9-8-15(18(19)22)12-17(20)21/h3-9,13H,10-12H2,1-2H3,(H,20,21)
InChIKeyHLNLBRWBTYOPHZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.19
Rot. Bonds6

About 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid

2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid (PubChem CID 82521071) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
PubChem CID82521071
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
SMILESCC(C)CCn1c(-c2ccccc2)ccc(CC(=O)O)c1=O
InChIInChI=1S/C18H21NO3/c1-13(2)10-11-19-16(14-6-4-3-5-7-14)9-8-15(18(19)22)12-17(20)21/h3-9,13H,10-12H2,1-2H3,(H,20,21)
InChIKeyHLNLBRWBTYOPHZ-UHFFFAOYSA-N
XLogP3.19
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(chloromethyl)-1-(3-methylbutyl)-6-phenylpyridin-2-one
CID 82521073
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
CID 82520595
6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
CID 82521254
2-[1-(3-methylbutyl)-5-phenylimidazol-2-yl]sulfanylacetic acid
CID 43327211
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carboxylic acid
CID 82099701
2-[6-methyl-1-(3-methylbutyl)-2-oxo-3-pyridinyl]acetyl chloride
CID 82524908
1-butyl-3-(ethylaminomethyl)-6-phenylpyridin-2-one
CID 82521163
3-amino-6-(4-chlorophenyl)-1-(3-methylbutyl)pyridin-2-one
CID 82466944
1-(2-methylpropyl)-2-oxo-6-phenylpyridine-3-carbonyl chloride
CID 82521125
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid (CID 82521071) is 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid is CC(C)CCn1c(-c2ccccc2)ccc(CC(=O)O)c1=O.
What is the InChIKey of 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid?
The InChIKey is HLNLBRWBTYOPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(2)10-11-19-16(14-6-4-3-5-7-14)9-8-15(18(19)22)12-17(20)21/h3-9,13H,10-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid?
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 82521071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).