6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid

C16H18N2O3 — CID 81244627

IUPAC6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
SMILESCCCOc1ccc(Nc2cc(C)ncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-3-8-21-13-6-4-12(5-7-13)18-15-9-11(2)17-10-14(15)16(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPNNQNMHFATXUCU-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.62
Rot. Bonds6

About 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid

6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid (PubChem CID 81244627) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
PubChem CID81244627
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
SMILESCCCOc1ccc(Nc2cc(C)ncc2C(=O)O)cc1
InChIInChI=1S/C16H18N2O3/c1-3-8-21-13-6-4-12(5-7-13)18-15-9-11(2)17-10-14(15)16(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyPNNQNMHFATXUCU-UHFFFAOYSA-N
XLogP3.62
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
CID 81230836
8-ethyl-4-(4-propoxyanilino)quinoline-3-carboxylic acid
CID 7719171
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233036
4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81244235
4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233334
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
4-(2,6-dibromoanilino)-6-methylpyridine-3-carboxylic acid
CID 107600873
4-(2,5-difluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233035
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
CID 106760088
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
4-hydrazinyl-6-methylpyridine-3-carboxylic acid
CID 82863432

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid (CID 81244627) is 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid is CCCOc1ccc(Nc2cc(C)ncc2C(=O)O)cc1.
What is the InChIKey of 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is PNNQNMHFATXUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-8-21-13-6-4-12(5-7-13)18-15-9-11(2)17-10-14(15)16(19)20/h4-7,9-10H,3,8H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid?
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81244627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).