5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid

C11H10N2O3 — CID 62205130

IUPAC5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccncc2)o1
InChIInChI=1S/C11H10N2O3/c14-11(15)9-1-2-10(16-9)13-7-8-3-5-12-6-4-8/h1-6,13H,7H2,(H,14,15)
InChIKeyCOLASFGAILMXAL-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.98
Rot. Bonds4

About 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid

5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid (PubChem CID 62205130) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid
PubChem CID62205130
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid
SMILESO=C(O)c1ccc(NCc2ccncc2)o1
InChIInChI=1S/C11H10N2O3/c14-11(15)9-1-2-10(16-9)13-7-8-3-5-12-6-4-8/h1-6,13H,7H2,(H,14,15)
InChIKeyCOLASFGAILMXAL-UHFFFAOYSA-N
XLogP1.98
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-bromophenyl)methylamino]furan-2-carboxylic acid
CID 62206358
5-(pyridin-2-ylmethylamino)furan-2-carboxylic acid
CID 62205127
5-[(3,4-difluorophenyl)methylamino]furan-2-carboxylic acid
CID 62206208
5-(1,2-oxazol-3-ylmethylamino)furan-2-carboxylic acid
CID 81177327
5-[(3-cyanophenyl)methylamino]furan-2-carboxylic acid
CID 62312630
5-[(4-methyl-1,3-thiazol-5-yl)methylamino]furan-2-carboxylic acid
CID 63283798
5-(naphthalen-1-ylmethylamino)furan-2-carboxylic acid
CID 62369627
5-(pyridin-4-ylmethylamino)benzene-1,3-dicarboxylic acid
CID 101486213
5-[(3-amino-2-hydroxy-3-oxopropyl)amino]furan-2-carboxylic acid
CID 106177280
5-(3,3,3-trifluoropropylamino)furan-2-carboxylic acid
CID 63228123
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
5-[[2-(dimethylamino)-2-methylpropyl]amino]furan-2-carboxylic acid
CID 62204256

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid?
The IUPAC name of 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid (CID 62205130) is 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid?
The canonical SMILES for 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid is O=C(O)c1ccc(NCc2ccncc2)o1.
What is the InChIKey of 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid?
The InChIKey is COLASFGAILMXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-11(15)9-1-2-10(16-9)13-7-8-3-5-12-6-4-8/h1-6,13H,7H2,(H,14,15).
What are the key properties of 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid?
5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-4-ylmethylamino)furan-2-carboxylic acid is sourced from PubChem (CID 62205130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).