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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Related Compounds

2-[(4-fluorophenyl)methyl]-6-(2-propoxyphenyl)pyridine-3-carboxylic acid
CID 110161831
6-phenyl-2-propylpyridine-3-carboxylic acid
CID 112693851
[4-(2-propoxyphenyl)phenyl]methylcarbamic acid
CID 67457846
2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid
CID 132588947
5-(2-propoxyphenyl)pyridine-2-carboxylic acid
CID 104660736
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
2-amino-4-methyl-6-(2-propoxyphenyl)pyrimidine-5-carboxylic acid
CID 54851462
2-(4-propoxyphenyl)benzoic acid
CID 62802761
6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
CID 63376427
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
5-methyl-1-[6-[2-[[4-[(4-methylphenoxy)methyl]phenyl]methoxy]phenyl]-2-pyridinyl]pyrazole-4-carboxylic acid
CID 71570465
2-(2-heptoxyphenyl)benzoic acid
CID 70433575

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).