3-[2-(pyridin-4-ylamino)ethyl]benzoic acid

C14H14N2O2 — CID 55236658

IUPAC3-[2-(pyridin-4-ylamino)ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNc2ccncc2)c1
InChIInChI=1S/C14H14N2O2/c17-14(18)12-3-1-2-11(10-12)4-9-16-13-5-7-15-8-6-13/h1-3,5-8,10H,4,9H2,(H,15,16)(H,17,18)
InChIKeyLGMAVTVEQOEOQG-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.43
Rot. Bonds5

About 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid

3-[2-(pyridin-4-ylamino)ethyl]benzoic acid (PubChem CID 55236658) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(pyridin-4-ylamino)ethyl]benzoic acid
PubChem CID55236658
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-[2-(pyridin-4-ylamino)ethyl]benzoic acid
SMILESO=C(O)c1cccc(CCNc2ccncc2)c1
InChIInChI=1S/C14H14N2O2/c17-14(18)12-3-1-2-11(10-12)4-9-16-13-5-7-15-8-6-13/h1-3,5-8,10H,4,9H2,(H,15,16)(H,17,18)
InChIKeyLGMAVTVEQOEOQG-UHFFFAOYSA-N
XLogP2.43
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(pyridin-4-ylamino)ethyl]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-(2-phenylethylamino)benzoic acid
CID 43139401
N-[2-(3-methylphenyl)ethyl]pyridin-4-amine
CID 62315390
3-[2-[(2,2-difluoroacetyl)amino]ethyl]benzoic acid
CID 103513300
3-[2-(3-nitroanilino)ethyl]benzoic acid
CID 63794948
3-(2-pyridin-4-ylethylamino)benzamide
CID 107811285
3-[2-(carboxymethylamino)ethyl]benzoic acid
CID 177277751
3-[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]ethyl]benzoic acid
CID 114786014
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
3-[2-(4-chlorophenyl)ethylamino]benzoic acid
CID 82538719
3-[2-[(4-bromo-1,3-thiazol-2-yl)amino]ethyl]benzoic acid
CID 79399210
3-[2-(pyrazine-2-carbonylamino)ethyl]benzoic acid
CID 63795096
3-(2-benzamidoethyl)benzoic acid;ethane
CID 91475554

Frequently Asked Questions

What is the IUPAC name of 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid?
The IUPAC name of 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid (CID 55236658) is 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid.
What is the SMILES notation for 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid?
The canonical SMILES for 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid is O=C(O)c1cccc(CCNc2ccncc2)c1.
What is the InChIKey of 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid?
The InChIKey is LGMAVTVEQOEOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(18)12-3-1-2-11(10-12)4-9-16-13-5-7-15-8-6-13/h1-3,5-8,10H,4,9H2,(H,15,16)(H,17,18).
What are the key properties of 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid?
3-[2-(pyridin-4-ylamino)ethyl]benzoic acid has a molecular weight of 242.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(pyridin-4-ylamino)ethyl]benzoic acid is sourced from PubChem (CID 55236658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).