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

C12H11BrN2O2 — CID 58458867

IUPAC3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(Br)c(C(=O)NCc2ccccn2)o1
InChIInChI=1S/C12H11BrN2O2/c1-8-6-10(13)11(17-8)12(16)15-7-9-4-2-3-5-14-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyXLYPNGRYTUCFMZ-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.68
Rot. Bonds3

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

3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide (PubChem CID 58458867) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
PubChem CID58458867
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
SMILESCc1cc(Br)c(C(=O)NCc2ccccn2)o1
InChIInChI=1S/C12H11BrN2O2/c1-8-6-10(13)11(17-8)12(16)15-7-9-4-2-3-5-14-9/h2-6H,7H2,1H3,(H,15,16)
InChIKeyXLYPNGRYTUCFMZ-UHFFFAOYSA-N
XLogP2.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(pyridin-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 110851934
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CID 2971561
5-chloro-3-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40708349
2-bromo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 113338677
4-bromo-1-methyl-N-(pyridin-2-ylmethyl)pyrrole-2-carboxamide
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4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-(pyridin-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109047624
2-ethyl-N-(pyridin-2-ylmethyl)butanamide
CID 5055685
methyl 4-(pyridin-2-ylmethylcarbamoyl)benzoate
CID 9414602
N-(pyridin-2-ylmethyl)-2-(2,4,6-tribromophenoxy)acetamide
CID 17359500
2-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
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2-bromo-N-(pyridin-2-ylmethyl)-5-sulfamoylbenzamide
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2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide (CID 58458867) is 3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide is Cc1cc(Br)c(C(=O)NCc2ccccn2)o1.
What is the InChIKey of 3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
The InChIKey is XLYPNGRYTUCFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-8-6-10(13)11(17-8)12(16)15-7-9-4-2-3-5-14-9/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide?
3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 58458867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).