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

C14H14N2O2 — CID 82513444

IUPAC4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNc2ccccn2)cc1
InChIInChI=1S/C14H14N2O2/c17-14(18)12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h1-7,9H,8,10H2,(H,15,16)(H,17,18)
InChIKeyKZTLMULXBLNRNI-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.43
Rot. Bonds5

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

4-[2-(pyridin-2-ylamino)ethyl]benzoic acid (PubChem CID 82513444) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[2-(pyridin-2-ylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
PubChem CID82513444
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccc(CCNc2ccccn2)cc1
InChIInChI=1S/C14H14N2O2/c17-14(18)12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h1-7,9H,8,10H2,(H,15,16)(H,17,18)
InChIKeyKZTLMULXBLNRNI-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

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Related Compounds

6-(2-pyridin-4-ylethylamino)pyridine-3-carboxylic acid
CID 60903457
1-[2-(pyridin-2-ylamino)ethyl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38234794
2-(2-pyridin-4-ylethylamino)pyridine-4-carboxylic acid
CID 60903144
4-[2-[(3-nitro-2-pyridinyl)amino]ethyl]benzoic acid
CID 43227037
2-(pyridin-2-ylamino)ethyl hydrogen carbonate
CID 91086886
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]benzoic acid
CID 66319401
4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid
CID 45335334
N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4050048
4-[2-[(4-cyanopyridazin-3-yl)amino]ethyl]benzoic acid
CID 80507896
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
6-[2-(4-chlorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158292

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-2-ylamino)ethyl]benzoic acid?
The IUPAC name of 4-[2-(pyridin-2-ylamino)ethyl]benzoic acid (CID 82513444) is 4-[2-(pyridin-2-ylamino)ethyl]benzoic acid.
What is the SMILES notation for 4-[2-(pyridin-2-ylamino)ethyl]benzoic acid?
The canonical SMILES for 4-[2-(pyridin-2-ylamino)ethyl]benzoic acid is O=C(O)c1ccc(CCNc2ccccn2)cc1.
What is the InChIKey of 4-[2-(pyridin-2-ylamino)ethyl]benzoic acid?
The InChIKey is KZTLMULXBLNRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14(18)12-6-4-11(5-7-12)8-10-16-13-3-1-2-9-15-13/h1-7,9H,8,10H2,(H,15,16)(H,17,18).
What are the key properties of 4-[2-(pyridin-2-ylamino)ethyl]benzoic acid?
4-[2-(pyridin-2-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 4-[2-(pyridin-2-ylamino)ethyl]benzoic acid is sourced from PubChem (CID 82513444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).