3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid

C17H19NO3 — CID 90424801

IUPAC3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid
SMILESCCCCc1c(-c2ccccc2C)ccn(C(=O)O)c1=O
InChIInChI=1S/C17H19NO3/c1-3-4-8-15-14(13-9-6-5-7-12(13)2)10-11-18(16(15)19)17(20)21/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyUIABBUPNOOMROY-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.69
Rot. Bonds4

About 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid

3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid (PubChem CID 90424801) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid.

Molecular Properties

Compound Name3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid
PubChem CID90424801
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid
SMILESCCCCc1c(-c2ccccc2C)ccn(C(=O)O)c1=O
InChIInChI=1S/C17H19NO3/c1-3-4-8-15-14(13-9-6-5-7-12(13)2)10-11-18(16(15)19)17(20)21/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,21)
InChIKeyUIABBUPNOOMROY-UHFFFAOYSA-N
XLogP3.69
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2-methylphenyl)-2-pentylphenyl] hydrogen carbonate
CID 67181301
3-octyl-2-oxopyridine-1-carboxylic acid
CID 90425465
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CID 67741238
[4-(2-methylphenyl)-2,3-dipropylphenyl] hydrogen carbonate
CID 67180798
ethane;2-ethyl-1-methyl-3-(2-methylphenyl)benzene
CID 144910624
butylbenzene;carbonic acid
CID 158278492
3-methyl-2-oxo-4-(2-phenylpyrimidin-5-yl)pyridine-1-carboxylic acid
CID 90424217
1-methyl-3-(2-methylphenyl)-2-(2-phenylethyl)benzene
CID 173430520
[2-butyl-6-(2-methylphenyl)phenyl]phosphane
CID 154051164
3,4-dibutylnaphthalene-1,2-dicarboxylic acid
CID 19809825
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
3,4-dibutyl-2-oxoquinoline-1-carboxamide
CID 121348479

Frequently Asked Questions

What is the IUPAC name of 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid?
The IUPAC name of 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid (CID 90424801) is 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid.
What is the SMILES notation for 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid?
The canonical SMILES for 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid is CCCCc1c(-c2ccccc2C)ccn(C(=O)O)c1=O.
What is the InChIKey of 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid?
The InChIKey is UIABBUPNOOMROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-3-4-8-15-14(13-9-6-5-7-12(13)2)10-11-18(16(15)19)17(20)21/h5-7,9-11H,3-4,8H2,1-2H3,(H,20,21).
What are the key properties of 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid?
3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-4-(2-methylphenyl)-2-oxopyridine-1-carboxylic acid is sourced from PubChem (CID 90424801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).