4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid

C21H21N3O2 — CID 59010294

IUPAC4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid
SMILESCc1ccc(Nc2cc(C)c(C)c(Nc3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-13-4-8-17(9-5-13)22-19-12-14(2)15(3)20(24-19)23-18-10-6-16(7-11-18)21(25)26/h4-12H,1-3H3,(H,25,26)(H2,22,23,24)
InChIKeyLFKMNAFJLFJODG-UHFFFAOYSA-N
MW347.42 g/mol
LogP5.19
Rot. Bonds5

About 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid

4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid (PubChem CID 59010294) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid
PubChem CID59010294
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid
SMILESCc1ccc(Nc2cc(C)c(C)c(Nc3ccc(C(=O)O)cc3)n2)cc1
InChIInChI=1S/C21H21N3O2/c1-13-4-8-17(9-5-13)22-19-12-14(2)15(3)20(24-19)23-18-10-6-16(7-11-18)21(25)26/h4-12H,1-3H3,(H,25,26)(H2,22,23,24)
InChIKeyLFKMNAFJLFJODG-UHFFFAOYSA-N
XLogP5.19
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.42
LogP ≤ 55.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic 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

3,4-dimethyl-2-N,6-N-diphenylpyridine-2,6-diamine;methanesulfonic acid
CID 162337786
4-[[6-(3,4-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193283
4-[[2-methyl-6-[(4-methylphenyl)methylamino]pyrimidin-4-yl]amino]benzoic acid
CID 113193226
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzoic acid;hydrochloride
CID 16876771
4-[[6-(3,5-dimethylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113192938
2-methyl-6-(4-methylanilino)pyrimidine-4-carboxylic acid
CID 82293663
4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193288
4-[[6-(4-cyanoanilino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193354
4-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]benzoic acid
CID 54583972
methyl 4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877116
4-[2-[6-(4-methylanilino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl]hydrazinyl]benzoic acid
CID 101183885
4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]benzoic acid
CID 66331884

Frequently Asked Questions

What is the IUPAC name of 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid?
The IUPAC name of 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid (CID 59010294) is 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid.
What is the SMILES notation for 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid?
The canonical SMILES for 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid is Cc1ccc(Nc2cc(C)c(C)c(Nc3ccc(C(=O)O)cc3)n2)cc1.
What is the InChIKey of 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid?
The InChIKey is LFKMNAFJLFJODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-13-4-8-17(9-5-13)22-19-12-14(2)15(3)20(24-19)23-18-10-6-16(7-11-18)21(25)26/h4-12H,1-3H3,(H,25,26)(H2,22,23,24).
What are the key properties of 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid?
4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid has a molecular weight of 347.42 g/mol, XLogP of 5.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,4-dimethyl-6-(4-methylanilino)-2-pyridinyl]amino]benzoic acid is sourced from PubChem (CID 59010294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).