6-(N-methylanilino)pyridine-3-carboxylic acid

C13H12N2O2 — CID 16778360

IUPAC6-(N-methylanilino)pyridine-3-carboxylic acid
SMILESCN(c1ccccc1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H12N2O2/c1-15(11-5-3-2-4-6-11)12-8-7-10(9-14-12)13(16)17/h2-9H,1H3,(H,16,17)
InChIKeyKOTLJYPXQMUZTK-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.55
Rot. Bonds3

About 6-(N-methylanilino)pyridine-3-carboxylic acid

6-(N-methylanilino)pyridine-3-carboxylic acid (PubChem CID 16778360) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-(N-methylanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(N-methylanilino)pyridine-3-carboxylic acid
PubChem CID16778360
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name6-(N-methylanilino)pyridine-3-carboxylic acid
SMILESCN(c1ccccc1)c1ccc(C(=O)O)cn1
InChIInChI=1S/C13H12N2O2/c1-15(11-5-3-2-4-6-11)12-8-7-10(9-14-12)13(16)17/h2-9H,1H3,(H,16,17)
InChIKeyKOTLJYPXQMUZTK-UHFFFAOYSA-N
XLogP2.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(N-methylanilino)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

benzoic acid;N-methyl-N-phenylaniline
CID 158055475
4-[methyl-[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119346931
(2R)-3-methyl-2-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 119368692
[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone
CID 102545394
2-(N-methylanilino)pyridine-4-carboxylic acid
CID 22643369
4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120532367
3-methyl-4-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120537159
N-[2-(dimethylamino)-1-phenylethyl]-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830639
6-(N-methylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109162323
4-(N-methylanilino)benzoic acid;1-[4-(N-methylanilino)phenyl]ethanone
CID 159806188
(3-aminopiperidin-1-yl)-[6-(N-methylanilino)-3-pyridinyl]methanone;dihydrochloride
CID 119381632
N-(3,4-dimethoxyphenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 109162326

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(N-methylanilino)pyridine-3-carboxylic acid (CID 16778360) is 6-(N-methylanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(N-methylanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(N-methylanilino)pyridine-3-carboxylic acid is CN(c1ccccc1)c1ccc(C(=O)O)cn1.
What is the InChIKey of 6-(N-methylanilino)pyridine-3-carboxylic acid?
The InChIKey is KOTLJYPXQMUZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-15(11-5-3-2-4-6-11)12-8-7-10(9-14-12)13(16)17/h2-9H,1H3,(H,16,17).
What are the key properties of 6-(N-methylanilino)pyridine-3-carboxylic acid?
6-(N-methylanilino)pyridine-3-carboxylic acid has a molecular weight of 228.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 16778360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).