2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid

C14H14N2O2 — CID 138490291

IUPAC2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid
SMILESCc1c(C(=O)O)cccc1N(C)c1cccnc1
InChIInChI=1S/C14H14N2O2/c1-10-12(14(17)18)6-3-7-13(10)16(2)11-5-4-8-15-9-11/h3-9H,1-2H3,(H,17,18)
InChIKeyDPGVTMIHZBHDPR-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid

2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid (PubChem CID 138490291) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid
PubChem CID138490291
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid
SMILESCc1c(C(=O)O)cccc1N(C)c1cccnc1
InChIInChI=1S/C14H14N2O2/c1-10-12(14(17)18)6-3-7-13(10)16(2)11-5-4-8-15-9-11/h3-9H,1-2H3,(H,17,18)
InChIKeyDPGVTMIHZBHDPR-UHFFFAOYSA-N
XLogP2.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-3-[methyl(pyridin-3-yl)amino]benzoate
CID 113333029
2-(N-methylanilino)pyridine-3-carboxylic acid
CID 139145304
ethyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 115935077
3-fluoro-1-N-methyl-1-N-pyridin-3-ylbenzene-1,2-diamine
CID 115127057
N-methyl-N-pyridin-3-ylcarbamoyl chloride
CID 115194564
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
3-(diethylamino)-2-methylbenzoic acid;hydrochloride
CID 139904487
2-methyl-3-(pyridin-3-ylsulfamoyl)benzoic acid
CID 63742304
methyl 3-amino-2-[methyl(pyridin-3-yl)amino]benzoate
CID 112579053
2-[methyl-(2-pyridin-3-ylacetyl)amino]benzoic acid
CID 62689152
3-methyl-2-pyridin-3-ylbenzoic acid
CID 46317094
N-methyl-N-(2-nitrophenyl)pyridin-3-amine
CID 121011639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid?
The IUPAC name of 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid (CID 138490291) is 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid?
The canonical SMILES for 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid is Cc1c(C(=O)O)cccc1N(C)c1cccnc1.
What is the InChIKey of 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid?
The InChIKey is DPGVTMIHZBHDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-12(14(17)18)6-3-7-13(10)16(2)11-5-4-8-15-9-11/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid?
2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(pyridin-3-yl)amino]benzoic acid is sourced from PubChem (CID 138490291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).