2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide

C12H11BrN2O2 — CID 106854138

IUPAC2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2Br)c(C)n1
InChIInChI=1S/C12H11BrN2O2/c1-7-3-4-10(8(2)14-7)15-12(16)9-5-6-17-11(9)13/h3-6H,1-2H3,(H,15,16)
InChIKeyLOOLUUKHFGRNOT-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.31
Rot. Bonds2

About 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide

2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide (PubChem CID 106854138) has the molecular formula C12H11BrN2O2 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide
PubChem CID106854138
Molecular FormulaC12H11BrN2O2
Molecular Weight295.14 g/mol
Exact Mass294.00
IUPAC Name2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccoc2Br)c(C)n1
InChIInChI=1S/C12H11BrN2O2/c1-7-3-4-10(8(2)14-7)15-12(16)9-5-6-17-11(9)13/h3-6H,1-2H3,(H,15,16)
InChIKeyLOOLUUKHFGRNOT-UHFFFAOYSA-N
XLogP3.31
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 106501987
2-bromo-N-(2-bromophenyl)furan-3-carboxamide
CID 106852264
2-bromo-N-(3-methyl-1,2,4-thiadiazol-5-yl)furan-3-carboxamide
CID 106854400
2-bromo-N-(2,5-difluoro-4-methylphenyl)furan-3-carboxamide
CID 106854464
2-bromo-N-(4-bromo-2-ethylphenyl)furan-3-carboxamide
CID 106852304
2-amino-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 107075650
2-bromo-N-(2-iodophenyl)furan-3-carboxamide
CID 106852274
2-bromo-N-(5-methyl-1,2-oxazol-3-yl)furan-3-carboxamide
CID 106852360
2-bromo-N-(2,3-dichlorophenyl)furan-3-carboxamide
CID 106852540
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide
CID 106853073
2-bromo-N-(3-methylphenyl)furan-3-carboxamide
CID 106852319
N-(4-amino-2-chlorophenyl)-2-bromofuran-3-carboxamide
CID 106850739

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide?
The IUPAC name of 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide (CID 106854138) is 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide is Cc1ccc(NC(=O)c2ccoc2Br)c(C)n1.
What is the InChIKey of 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide?
The InChIKey is LOOLUUKHFGRNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2/c1-7-3-4-10(8(2)14-7)15-12(16)9-5-6-17-11(9)13/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide?
2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,6-dimethyl-3-pyridinyl)furan-3-carboxamide is sourced from PubChem (CID 106854138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).