5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid

C13H12N2O4 — CID 104607208

IUPAC5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCCc2ccncc2)c1
InChIInChI=1S/C13H12N2O4/c16-12(11-7-10(8-19-11)13(17)18)15-6-3-9-1-4-14-5-2-9/h1-2,4-5,7-8H,3,6H2,(H,15,16)(H,17,18)
InChIKeySBBDYWQZWJTAGF-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.35
Rot. Bonds5

About 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid

5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid (PubChem CID 104607208) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
PubChem CID104607208
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
SMILESO=C(O)c1coc(C(=O)NCCc2ccncc2)c1
InChIInChI=1S/C13H12N2O4/c16-12(11-7-10(8-19-11)13(17)18)15-6-3-9-1-4-14-5-2-9/h1-2,4-5,7-8H,3,6H2,(H,15,16)(H,17,18)
InChIKeySBBDYWQZWJTAGF-UHFFFAOYSA-N
XLogP1.35
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide
CID 45497150
5-[2-(furan-2-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607308
5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607670
5-(2-acetamidoethylcarbamoyl)furan-3-carboxylic acid
CID 104607173
3,5-diamino-N-(2-pyridin-4-ylethyl)benzamide
CID 61104259
4,5-dichloro-2-(2-pyridin-4-ylethylcarbamoyl)benzoic acid
CID 1089157
5-(4-methylpentylcarbamoyl)furan-3-carboxylic acid
CID 104607558
2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 90515066
5-(2,2-dimethylpropylcarbamoyl)furan-3-carboxylic acid
CID 104607222
2-bromo-2-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 82110489
4-ethyl-N-(2-pyridin-4-ylethyl)benzamide
CID 70990816
5-(furan-2-yl)-N-(2-pyridin-4-ylethyl)-1,2-oxazole-3-carboxamide
CID 24720451

Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid?
The IUPAC name of 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid (CID 104607208) is 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid.
What is the SMILES notation for 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid?
The canonical SMILES for 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid is O=C(O)c1coc(C(=O)NCCc2ccncc2)c1.
What is the InChIKey of 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid?
The InChIKey is SBBDYWQZWJTAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-12(11-7-10(8-19-11)13(17)18)15-6-3-9-1-4-14-5-2-9/h1-2,4-5,7-8H,3,6H2,(H,15,16)(H,17,18).
What are the key properties of 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid?
5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid has a molecular weight of 260.25 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid is sourced from PubChem (CID 104607208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).