5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C11H9BrN2O2 — CID 750404

IUPAC5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Br)o1
InChIInChI=1S/C11H9BrN2O2/c12-10-4-3-9(16-10)11(15)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15)
InChIKeyOKEGICVBRVCXMV-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.37
Rot. Bonds3

About 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 750404) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID750404
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cccnc1)c1ccc(Br)o1
InChIInChI=1S/C11H9BrN2O2/c12-10-4-3-9(16-10)11(15)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15)
InChIKeyOKEGICVBRVCXMV-UHFFFAOYSA-N
XLogP2.37
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841
2-bromo-N-(pyridin-3-ylmethyl)-4H-furo[3,2-b]pyrrole-5-carboxamide
CID 91961363
5-bromo-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 16895864
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
6-bromo-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463466
2,3,5,6-tetrafluoro-1-N,4-N-bis(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 1204787
4-(aminomethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 28545926
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
5-bromo-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 2539105
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-(pyridin-3-ylmethyl)carbamate
CID 19082872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 750404) is 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide is O=C(NCc1cccnc1)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is OKEGICVBRVCXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-10-4-3-9(16-10)11(15)14-7-8-2-1-5-13-6-8/h1-6H,7H2,(H,14,15).
What are the key properties of 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 750404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).