2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid

C17H14N2O3 — CID 155983211

IUPAC2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CNc2cccnc2)o1
InChIInChI=1S/C17H14N2O3/c20-17(21)15-6-2-1-5-14(15)16-8-7-13(22-16)11-19-12-4-3-9-18-10-12/h1-10,19H,11H2,(H,20,21)
InChIKeyLSCIYLMSWHKJAJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.65
Rot. Bonds5

About 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid

2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid (PubChem CID 155983211) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid
PubChem CID155983211
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccc(CNc2cccnc2)o1
InChIInChI=1S/C17H14N2O3/c20-17(21)15-6-2-1-5-14(15)16-8-7-13(22-16)11-19-12-4-3-9-18-10-12/h1-10,19H,11H2,(H,20,21)
InChIKeyLSCIYLMSWHKJAJ-UHFFFAOYSA-N
XLogP3.65
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-ethylfuran-2-yl)methyl]pyridin-3-amine
CID 62347373
2-[5-(2-aminoethyl)furan-2-yl]benzoic acid
CID 170888008
N-[(5-chlorofuran-2-yl)methyl]pyridin-3-amine
CID 60769761
2-chloro-4-[[5-(2-fluorophenyl)furan-2-yl]methylamino]benzoic acid
CID 17058553
N-[[5-(anilinomethyl)furan-2-yl]methyl]aniline
CID 155545508
N-benzylpyridin-3-amine;dihydrochloride
CID 71432393
5-[(pyridin-3-ylamino)methyl]furan-2-carbonitrile
CID 115692616
2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
2-[5-[[(3S)-3-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid
CID 124952501
2-chloro-5-[[5-(3-chlorophenyl)furan-2-yl]methylamino]benzoic acid
CID 17058476
azanium 4-[5-[(4-bromoanilino)methyl]furan-2-yl]-2-carboxyphenolate
CID 158465332
N-[[5-(aminomethyl)furan-2-yl]methyl]aniline
CID 23130500

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid (CID 155983211) is 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid is O=C(O)c1ccccc1-c1ccc(CNc2cccnc2)o1.
What is the InChIKey of 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid?
The InChIKey is LSCIYLMSWHKJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c20-17(21)15-6-2-1-5-14(15)16-8-7-13(22-16)11-19-12-4-3-9-18-10-12/h1-10,19H,11H2,(H,20,21).
What are the key properties of 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid?
2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid has a molecular weight of 294.31 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(pyridin-3-ylamino)methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 155983211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).