6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid

C17H19NO3 — CID 116533249

IUPAC6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2ccc(OC)cc2)c(C)cc1C(=O)O
InChIInChI=1S/C17H19NO3/c1-4-5-15-14(17(19)20)10-11(2)16(18-15)12-6-8-13(21-3)9-7-12/h6-10H,4-5H2,1-3H3,(H,19,20)
InChIKeyAAXDORVADYDEND-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.72
Rot. Bonds5

About 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid

6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid (PubChem CID 116533249) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
PubChem CID116533249
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
SMILESCCCc1nc(-c2ccc(OC)cc2)c(C)cc1C(=O)O
InChIInChI=1S/C17H19NO3/c1-4-5-15-14(17(19)20)10-11(2)16(18-15)12-6-8-13(21-3)9-7-12/h6-10H,4-5H2,1-3H3,(H,19,20)
InChIKeyAAXDORVADYDEND-UHFFFAOYSA-N
XLogP3.72
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chlorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 116533201
6-(3-fluorophenyl)-5-methyl-2-propylpyridine-3-carboxylic acid
CID 114872887
2-cyclopropyl-6-(4-methoxyphenyl)-5-methylpyridine-3-carboxylic acid
CID 116533689
2-(3-methoxy-4-methylphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373410
methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate
CID 175431840
6-butyl-5-hydroxy-2-(4-methoxyphenyl)pyridine-3,4-dicarboxylic acid
CID 175431890
5-(4-fluorophenyl)-6-methyl-2-propylpyridine-3-carboxylic acid
CID 114834320
3-(4-methoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 42281960
2-chloro-5-methyl-6-(4-methylphenyl)pyridine-3-carboxylic acid
CID 82121831
6-(4-bromophenyl)-2,5-dimethylpyridine-3-carboxylic acid
CID 112562057
4-(4-methoxyphenyl)-2-methyl-5-propyltriazole
CID 70307884
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-oxazole-5-carboxylic acid
CID 114373284

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
The IUPAC name of 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid (CID 116533249) is 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid is CCCc1nc(-c2ccc(OC)cc2)c(C)cc1C(=O)O.
What is the InChIKey of 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
The InChIKey is AAXDORVADYDEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-5-15-14(17(19)20)10-11(2)16(18-15)12-6-8-13(21-3)9-7-12/h6-10H,4-5H2,1-3H3,(H,19,20).
What are the key properties of 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid?
6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-methyl-2-propylpyridine-3-carboxylic acid is sourced from PubChem (CID 116533249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).