4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid

C15H16N2O4 — CID 81230836

IUPAC4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(Nc2cc(C)ncc2C(=O)O)c(OC)c1
InChIInChI=1S/C15H16N2O4/c1-9-6-13(11(8-16-9)15(18)19)17-12-5-4-10(20-2)7-14(12)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyHWYVTMCWFAHYQM-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.85
Rot. Bonds5

About 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid

4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81230836) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID81230836
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid
SMILESCOc1ccc(Nc2cc(C)ncc2C(=O)O)c(OC)c1
InChIInChI=1S/C15H16N2O4/c1-9-6-13(11(8-16-9)15(18)19)17-12-5-4-10(20-2)7-14(12)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19)
InChIKeyHWYVTMCWFAHYQM-UHFFFAOYSA-N
XLogP2.85
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81227803
3-(2,4-dimethoxyanilino)phthalic acid
CID 58307328
6-methyl-4-(4-propoxyanilino)pyridine-3-carboxylic acid
CID 81244627
4-[1-(4-methoxyphenyl)ethylamino]-6-methylpyridine-3-carboxylic acid
CID 81244192
6-methyl-4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243431
4-(2-fluoro-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81233223
2-(2,4-dimethoxyanilino)-3-fluorobenzoic acid
CID 62648655
N-[6-(2,4-dimethoxyanilino)-3-pyridinyl]acetamide
CID 113020010
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-[2-(dimethylamino)anilino]-6-methylpyridine-3-carboxylic acid
CID 106760088
4-[(2,4-dimethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53271047

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid (CID 81230836) is 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid is COc1ccc(Nc2cc(C)ncc2C(=O)O)c(OC)c1.
What is the InChIKey of 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is HWYVTMCWFAHYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-9-6-13(11(8-16-9)15(18)19)17-12-5-4-10(20-2)7-14(12)21-3/h4-8H,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid?
4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethoxyanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81230836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).