5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C20H23NO5 — CID 165489417

IUPAC5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCCc1ccccc1-c1cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H23NO5/c1-5-13-8-6-7-9-15(13)14-10-16(19(24)25)18(23)21(11-14)12-17(22)26-20(2,3)4/h6-11H,5,12H2,1-4H3,(H,24,25)
InChIKeyQYIADEJQSIDOIJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.12
Rot. Bonds5

About 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 165489417) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID165489417
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCCc1ccccc1-c1cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H23NO5/c1-5-13-8-6-7-9-15(13)14-10-16(19(24)25)18(23)21(11-14)12-17(22)26-20(2,3)4/h6-11H,5,12H2,1-4H3,(H,24,25)
InChIKeyQYIADEJQSIDOIJ-UHFFFAOYSA-N
XLogP3.12
TPSA85.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489373
5-(2,5-difluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489383
5-(5-fluoro-2-methylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165477456
5-(3-carboxy-4-chlorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489809
5-[3-(hydroxymethyl)phenyl]-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165477378
5-(4-methoxycarbonylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489418
5-(2-chloro-6-fluorophenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165477458
5-(5-formylfuran-2-yl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
CID 165489416
methyl 1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylate
CID 70326272
benzoic acid;1-ethyl-2-phenylbenzene
CID 66846233
tert-butyl 2-(2,3-dioxoindol-1-yl)acetate
CID 23517202
tert-butyl 2-(3-acetylindol-1-yl)acetate
CID 118322378

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 165489417) is 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is CCc1ccccc1-c1cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c1.
What is the InChIKey of 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is QYIADEJQSIDOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-5-13-8-6-7-9-15(13)14-10-16(19(24)25)18(23)21(11-14)12-17(22)26-20(2,3)4/h6-11H,5,12H2,1-4H3,(H,24,25).
What are the key properties of 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 165489417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).