2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid

C17H20N2O2 — CID 81037179

IUPAC2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(C)cc(N(C)c2cc(C)nc(C)c2C(=O)O)c1
InChIInChI=1S/C17H20N2O2/c1-10-6-11(2)8-14(7-10)19(5)15-9-12(3)18-13(4)16(15)17(20)21/h6-9H,1-5H3,(H,20,21)
InChIKeyCGAQGDREIOGVJM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.78
Rot. Bonds3

About 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid

2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid (PubChem CID 81037179) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid
PubChem CID81037179
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid
SMILESCc1cc(C)cc(N(C)c2cc(C)nc(C)c2C(=O)O)c1
InChIInChI=1S/C17H20N2O2/c1-10-6-11(2)8-14(7-10)19(5)15-9-12(3)18-13(4)16(15)17(20)21/h6-9H,1-5H3,(H,20,21)
InChIKeyCGAQGDREIOGVJM-UHFFFAOYSA-N
XLogP3.78
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carbothioamide
CID 81061181
2,6-dimethyl-4-[methyl-(4-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 81053226
4-[2-ethoxyethyl(methyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81075122
2,6-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053146
2,6-dimethyl-4-[methyl(3-methylbutyl)amino]pyridine-3-carboxylic acid
CID 81053454
2,6-dimethyl-4-[2-methylpropyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 81053301
4-[(1,1-dioxothiolan-3-yl)-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053764
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81036735
4-[ethyl(2-methylpropyl)amino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81053761
4-[(3-chlorophenyl)methyl-methylamino]-2,6-dimethylpyridine-3-carboxylic acid
CID 81036947
4-ethylsulfanyl-2,6-dimethylpyridine-3-carboxylic acid
CID 81053869
4-(4-fluoro-N-methylanilino)-2,6-dimethylpyridine-3-carbothioamide
CID 81054556

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid (CID 81037179) is 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid is Cc1cc(C)cc(N(C)c2cc(C)nc(C)c2C(=O)O)c1.
What is the InChIKey of 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid?
The InChIKey is CGAQGDREIOGVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-10-6-11(2)8-14(7-10)19(5)15-9-12(3)18-13(4)16(15)17(20)21/h6-9H,1-5H3,(H,20,21).
What are the key properties of 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid?
2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(N,3,5-trimethylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81037179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).