4-(3,4-dimethylanilino)pyridine-3-carboxylic acid

C14H14N2O2 — CID 81233469

IUPAC4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ccncc2C(=O)O)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-3-4-11(7-10(9)2)16-13-5-6-15-8-12(13)14(17)18/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyXKFLBSRJBALRKW-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.14
Rot. Bonds3

About 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid

4-(3,4-dimethylanilino)pyridine-3-carboxylic acid (PubChem CID 81233469) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
PubChem CID81233469
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-(3,4-dimethylanilino)pyridine-3-carboxylic acid
SMILESCc1ccc(Nc2ccncc2C(=O)O)cc1C
InChIInChI=1S/C14H14N2O2/c1-9-3-4-11(7-10(9)2)16-13-5-6-15-8-12(13)14(17)18/h3-8H,1-2H3,(H,15,16)(H,17,18)
InChIKeyXKFLBSRJBALRKW-UHFFFAOYSA-N
XLogP3.14
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(3,4-dimethylanilino)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

4-(3-chloro-4-methylanilino)pyridine-3-carboxylic acid
CID 81232618
4-[4-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244152
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
4-(3-hydroxyanilino)pyridine-3-carboxylic acid
CID 115037604
4-(3-methylsulfanylanilino)pyridine-3-carboxylic acid
CID 81232442
2-methyl-5-[(3-nitro-4-pyridinyl)amino]benzoic acid
CID 63653876
3-[4-methyl-3-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 105062675
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
4-[4-bromo-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 81244664
4-(2-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 81233139
4-(5-bromo-4-fluoro-2-methylanilino)pyridine-3-carboxylic acid
CID 107592865
4-[(2-methyl-3-pyridinyl)amino]pyridine-3-carboxylic acid
CID 81243430

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid (CID 81233469) is 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid is Cc1ccc(Nc2ccncc2C(=O)O)cc1C.
What is the InChIKey of 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid?
The InChIKey is XKFLBSRJBALRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-3-4-11(7-10(9)2)16-13-5-6-15-8-12(13)14(17)18/h3-8H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid?
4-(3,4-dimethylanilino)pyridine-3-carboxylic acid has a molecular weight of 242.28 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 81233469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).