2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid

C18H21NO3 — CID 82520595

IUPAC2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
SMILESCCCn1c(-c2ccc(CC)cc2)ccc(CC(=O)O)c1=O
InChIInChI=1S/C18H21NO3/c1-3-11-19-16(14-7-5-13(4-2)6-8-14)10-9-15(18(19)22)12-17(20)21/h5-10H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyKAGOIMTYSAKNRZ-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.11
Rot. Bonds6

About 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid

2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid (PubChem CID 82520595) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
PubChem CID82520595
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid
SMILESCCCn1c(-c2ccc(CC)cc2)ccc(CC(=O)O)c1=O
InChIInChI=1S/C18H21NO3/c1-3-11-19-16(14-7-5-13(4-2)6-8-14)10-9-15(18(19)22)12-17(20)21/h5-10H,3-4,11-12H2,1-2H3,(H,20,21)
InChIKeyKAGOIMTYSAKNRZ-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-ethylphenyl)-1-propyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520594
6-(4-ethylphenyl)-3-(hydroxymethyl)-1-pentylpyridin-2-one
CID 82520519
6-(4-chlorophenyl)-3-(hydroxymethyl)-1-propylpyridin-2-one
CID 82519305
2-(6-methyl-2-oxo-1-propyl-3-pyridinyl)acetic acid
CID 82525356
2-[1-(3-methylbutyl)-2-oxo-6-phenyl-3-pyridinyl]acetic acid
CID 82521071
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
6-(4-ethylphenyl)-1-methyl-3-(sulfanylmethyl)pyridin-2-one
CID 82520637
3-(hydroxymethyl)-1-pentyl-6-phenylpyridin-2-one
CID 82521098
3-(aminomethyl)-6-(4-fluorophenyl)-1-propylpyridin-2-one
CID 82519561
6-(4-chlorophenyl)-3-(ethylaminomethyl)-1-propylpyridin-2-one
CID 82519302
2-[6-(4-fluorophenyl)-1-(2-methylpropyl)-2-oxo-3-pyridinyl]acetic acid
CID 82519501
6-phenyl-3-[(propan-2-ylamino)methyl]-1-propylpyridin-2-one
CID 82521254

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid?
The IUPAC name of 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid (CID 82520595) is 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid is CCCn1c(-c2ccc(CC)cc2)ccc(CC(=O)O)c1=O.
What is the InChIKey of 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid?
The InChIKey is KAGOIMTYSAKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-11-19-16(14-7-5-13(4-2)6-8-14)10-9-15(18(19)22)12-17(20)21/h5-10H,3-4,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid?
2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-ethylphenyl)-2-oxo-1-propyl-3-pyridinyl]acetic acid is sourced from PubChem (CID 82520595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).