4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid

C14H14N2O2 — CID 55107787

IUPAC4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid
SMILESCc1ccc(C(=O)O)c(NCc2ccccn2)c1
InChIInChI=1S/C14H14N2O2/c1-10-5-6-12(14(17)18)13(8-10)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyJMLJBJNYFMSKDW-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.70
Rot. Bonds4

About 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid

4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid (PubChem CID 55107787) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid
PubChem CID55107787
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid
SMILESCc1ccc(C(=O)O)c(NCc2ccccn2)c1
InChIInChI=1S/C14H14N2O2/c1-10-5-6-12(14(17)18)13(8-10)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3,(H,17,18)
InChIKeyJMLJBJNYFMSKDW-UHFFFAOYSA-N
XLogP2.70
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-2-(pyridin-2-ylmethylamino)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

methyl 5-methyl-2-(pyridin-2-ylmethylamino)benzoate
CID 43679207
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
5-methyl-2-(pyridin-2-ylmethyl)benzoic acid
CID 81111725
5-methylbenzene-1,3-dicarboxylic acid;N-(pyridin-2-ylmethyl)-1H-pyrazol-5-amine
CID 174601978
2-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 113378528
6-methyl-4-(2-pyridin-2-ylethylamino)pyridine-3-carboxylic acid
CID 81233304
2-(2-methoxy-5-methylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 108999277
N,N-dimethyl-2-(pyridin-2-ylmethylamino)benzamide
CID 43738317
3-methyl-4-(pyridin-2-ylmethylamino)benzoate
CID 7420321
3-amino-2-(pyridin-2-ylmethylamino)benzoic acid
CID 112577849
N-(2,4-dimethylphenyl)-2-(pyridin-2-ylmethylamino)acetamide
CID 108999125
4-chloro-2-[(6-methyl-2-pyridinyl)methylamino]benzoic acid
CID 63081656

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid?
The IUPAC name of 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid (CID 55107787) is 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid.
What is the SMILES notation for 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid?
The canonical SMILES for 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid is Cc1ccc(C(=O)O)c(NCc2ccccn2)c1.
What is the InChIKey of 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid?
The InChIKey is JMLJBJNYFMSKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-5-6-12(14(17)18)13(8-10)16-9-11-4-2-3-7-15-11/h2-8,16H,9H2,1H3,(H,17,18).
What are the key properties of 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid?
4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(pyridin-2-ylmethylamino)benzoic acid is sourced from PubChem (CID 55107787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).