N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide

C11H9BrN2OS — CID 834138

IUPACN-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2cccs2)ccc1Br
InChIInChI=1S/C11H9BrN2OS/c1-7-8(12)4-5-10(13-7)14-11(15)9-3-2-6-16-9/h2-6H,1H3,(H,13,14,15)
InChIKeyAZDOGCVSSJSWGH-UHFFFAOYSA-N
MW297.18 g/mol
LogP3.47
Rot. Bonds2

About N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide

N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide (PubChem CID 834138) has the molecular formula C11H9BrN2OS and a molecular weight of 297.18 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide
PubChem CID834138
Molecular FormulaC11H9BrN2OS
Molecular Weight297.18 g/mol
Exact Mass295.96
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide
SMILESCc1nc(NC(=O)c2cccs2)ccc1Br
InChIInChI=1S/C11H9BrN2OS/c1-7-8(12)4-5-10(13-7)14-11(15)9-3-2-6-16-9/h2-6H,1H3,(H,13,14,15)
InChIKeyAZDOGCVSSJSWGH-UHFFFAOYSA-N
XLogP3.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide (CID 834138) is N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide is Cc1nc(NC(=O)c2cccs2)ccc1Br.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide?
The InChIKey is AZDOGCVSSJSWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2OS/c1-7-8(12)4-5-10(13-7)14-11(15)9-3-2-6-16-9/h2-6H,1H3,(H,13,14,15).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide?
N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide has a molecular weight of 297.18 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 834138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).