3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid

C15H16N2O2 — CID 82537728

IUPAC3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccncc1)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-17(10-7-12-5-8-16-9-6-12)14-4-2-3-13(11-14)15(18)19/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)
InChIKeyUKSCZHUJJYSROS-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.46
Rot. Bonds5

About 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid

3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid (PubChem CID 82537728) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
PubChem CID82537728
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid
SMILESCN(CCc1ccncc1)c1cccc(C(=O)O)c1
InChIInChI=1S/C15H16N2O2/c1-17(10-7-12-5-8-16-9-6-12)14-4-2-3-13(11-14)15(18)19/h2-6,8-9,11H,7,10H2,1H3,(H,18,19)
InChIKeyUKSCZHUJJYSROS-UHFFFAOYSA-N
XLogP2.46
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(2-pyridin-2-ylethyl)amino]benzoic acid
CID 102822634
N-methyl-N-(2-pyridin-4-ylethyl)-3-(trifluoromethyl)aniline
CID 110454688
3-(aminomethyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 62969270
3-[[ethyl(2-pyridin-4-ylethyl)amino]methyl]benzoic acid
CID 82183854
N-(3-acetylphenyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237130
3-N-ethyl-1-N-methyl-3-N-phenyl-1-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055548
9-[methyl(2-pyridin-4-ylethyl)amino]-2,3-dihydro-1H-cyclopenta[b]quinoline-7-carboxylic acid
CID 7138215
3-[[methyl(2-phenylethyl)amino]methyl]benzoic acid
CID 65486667
3-[methyl(2-phenylethyl)carbamoyl]benzoic acid
CID 65487165
N-cycloheptyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237072
2-(3-acetyl-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113155558
N-(2-methylpropyl)-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224772

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid?
The IUPAC name of 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid (CID 82537728) is 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid.
What is the SMILES notation for 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid?
The canonical SMILES for 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid is CN(CCc1ccncc1)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid?
The InChIKey is UKSCZHUJJYSROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-17(10-7-12-5-8-16-9-6-12)14-4-2-3-13(11-14)15(18)19/h2-6,8-9,11H,7,10H2,1H3,(H,18,19).
What are the key properties of 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid?
3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid has a molecular weight of 256.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-pyridin-4-ylethyl)amino]benzoic acid is sourced from PubChem (CID 82537728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).