5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide

C12H11BrN2O3 — CID 71865902

IUPAC5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCOc1ccc(C)nc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H11BrN2O3/c1-7-3-4-8(17-2)11(14-7)15-12(16)9-5-6-10(13)18-9/h3-6H,1-2H3,(H,14,15,16)
InChIKeyATFIFNXWHBUAFQ-UHFFFAOYSA-N
MW311.14 g/mol
LogP3.01
Rot. Bonds3

About 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide

5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide (PubChem CID 71865902) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide
PubChem CID71865902
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide
SMILESCOc1ccc(C)nc1NC(=O)c1ccc(Br)o1
InChIInChI=1S/C12H11BrN2O3/c1-7-3-4-8(17-2)11(14-7)15-12(16)9-5-6-10(13)18-9/h3-6H,1-2H3,(H,14,15,16)
InChIKeyATFIFNXWHBUAFQ-UHFFFAOYSA-N
XLogP3.01
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N'-(3,4-dimethoxybenzoyl)furan-2-carbohydrazide
CID 2355027
3-(methoxymethyl)-N-(3-methoxy-6-methyl-2-pyridinyl)benzamide
CID 71982976
5-bromo-N-(2-methoxy-5-methyl-3-pyridinyl)furan-2-carboxamide
CID 71983273
2,5-difluoro-N-(3-methoxy-6-methyl-2-pyridinyl)benzamide
CID 71982977
5-bromo-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]furan-2-carboxamide
CID 84558997
5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-[(2-methoxy-5-methylphenyl)methyl]furan-2-carboxamide
CID 32858696
5-bromo-N-[2-(4-methoxy-3-methylphenyl)ethyl]furan-2-carboxamide
CID 110795131
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-(3-benzyl-4-methoxyphenyl)-5-bromofuran-2-carboxamide
CID 42372295
5-bromo-N-[(2-methoxy-4,5-dimethylphenyl)methyl]furan-2-carboxamide
CID 110793657
N-(5-amino-3-methyl-2-pyridinyl)-5-bromofuran-2-carboxamide
CID 112555233

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide?
The IUPAC name of 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide (CID 71865902) is 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide is COc1ccc(C)nc1NC(=O)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide?
The InChIKey is ATFIFNXWHBUAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-7-3-4-8(17-2)11(14-7)15-12(16)9-5-6-10(13)18-9/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide?
5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide has a molecular weight of 311.14 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-methoxy-6-methyl-2-pyridinyl)furan-2-carboxamide is sourced from PubChem (CID 71865902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).