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

C16H14N2O3 — CID 106534878

IUPAC2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCNc1nccc2occc12
InChIInChI=1S/C16H14N2O3/c19-16(20)12-4-2-1-3-11(12)5-8-17-15-13-7-10-21-14(13)6-9-18-15/h1-4,6-7,9-10H,5,8H2,(H,17,18)(H,19,20)
InChIKeyVAKZGIADUIBMTL-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.18
Rot. Bonds5

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

2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid (PubChem CID 106534878) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid
PubChem CID106534878
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCNc1nccc2occc12
InChIInChI=1S/C16H14N2O3/c19-16(20)12-4-2-1-3-11(12)5-8-17-15-13-7-10-21-14(13)6-9-18-15/h1-4,6-7,9-10H,5,8H2,(H,17,18)(H,19,20)
InChIKeyVAKZGIADUIBMTL-UHFFFAOYSA-N
XLogP3.18
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2-oxo-1H-pyrazin-3-yl)amino]ethyl]benzoic acid
CID 114570497
2-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]benzoic acid
CID 107056431
2-[2-(furo[3,2-c]pyridin-4-ylamino)ethoxy]acetic acid
CID 106534922
2-[(furo[3,2-c]pyridin-4-ylamino)methyl]pyridine-4-carboxylic acid
CID 106534944
N'-furo[3,2-c]pyridin-4-ylpropane-1,3-diamine
CID 106535052
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803
N-(2-methoxyethyl)furo[3,2-c]pyridin-4-amine
CID 90356822
N'-furo[3,2-c]pyridin-4-ylbutane-1,4-diamine
CID 106535053
ethyl 4-(furo[3,2-c]pyridin-4-ylamino)butanoate
CID 106534889
N-(2-ethylsulfinylethyl)furo[3,2-c]pyridin-4-amine
CID 103703045
N-(3-methylsulfonylpropyl)furo[3,2-c]pyridin-4-amine
CID 102809398
N-[2-(3-methoxyphenyl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702656

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid?
The IUPAC name of 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid (CID 106534878) is 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid.
What is the SMILES notation for 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid?
The canonical SMILES for 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid is O=C(O)c1ccccc1CCNc1nccc2occc12.
What is the InChIKey of 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid?
The InChIKey is VAKZGIADUIBMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-16(20)12-4-2-1-3-11(12)5-8-17-15-13-7-10-21-14(13)6-9-18-15/h1-4,6-7,9-10H,5,8H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid?
2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furo[3,2-c]pyridin-4-ylamino)ethyl]benzoic acid is sourced from PubChem (CID 106534878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).