2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid

C24H25NO3 — CID 110161842

IUPAC2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid
SMILESCCCOc1ccccc1-c1ccc(C(=O)O)c(CCc2ccc(C)cc2)n1
InChIInChI=1S/C24H25NO3/c1-3-16-28-23-7-5-4-6-19(23)21-15-13-20(24(26)27)22(25-21)14-12-18-10-8-17(2)9-11-18/h4-11,13,15H,3,12,14,16H2,1-2H3,(H,26,27)
InChIKeyZETVZMATVAATQC-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.33
Rot. Bonds8

About 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid

2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid (PubChem CID 110161842) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid
PubChem CID110161842
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid
SMILESCCCOc1ccccc1-c1ccc(C(=O)O)c(CCc2ccc(C)cc2)n1
InChIInChI=1S/C24H25NO3/c1-3-16-28-23-7-5-4-6-19(23)21-15-13-20(24(26)27)22(25-21)14-12-18-10-8-17(2)9-11-18/h4-11,13,15H,3,12,14,16H2,1-2H3,(H,26,27)
InChIKeyZETVZMATVAATQC-UHFFFAOYSA-N
XLogP5.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid (CID 110161842) is 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid is CCCOc1ccccc1-c1ccc(C(=O)O)c(CCc2ccc(C)cc2)n1.
What is the InChIKey of 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid?
The InChIKey is ZETVZMATVAATQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-3-16-28-23-7-5-4-6-19(23)21-15-13-20(24(26)27)22(25-21)14-12-18-10-8-17(2)9-11-18/h4-11,13,15H,3,12,14,16H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid?
2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid has a molecular weight of 375.47 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)ethyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 110161842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).