N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide

C12H11BrN2O2S — CID 71856501

IUPACN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(Br)c(=O)n(C)c1
InChIInChI=1S/C12H11BrN2O2S/c1-7-3-4-18-10(7)11(16)14-8-5-9(13)12(17)15(2)6-8/h3-6H,1-2H3,(H,14,16)
InChIKeyCIGZEBWSUHXJLB-UHFFFAOYSA-N
MW327.20 g/mol
LogP2.77
Rot. Bonds2

About N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide

N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide (PubChem CID 71856501) has the molecular formula C12H11BrN2O2S and a molecular weight of 327.20 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide
PubChem CID71856501
Molecular FormulaC12H11BrN2O2S
Molecular Weight327.20 g/mol
Exact Mass325.97
IUPAC NameN-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide
SMILESCc1ccsc1C(=O)Nc1cc(Br)c(=O)n(C)c1
InChIInChI=1S/C12H11BrN2O2S/c1-7-3-4-18-10(7)11(16)14-8-5-9(13)12(17)15(2)6-8/h3-6H,1-2H3,(H,14,16)
InChIKeyCIGZEBWSUHXJLB-UHFFFAOYSA-N
XLogP2.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide (CID 71856501) is N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide is Cc1ccsc1C(=O)Nc1cc(Br)c(=O)n(C)c1.
What is the InChIKey of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide?
The InChIKey is CIGZEBWSUHXJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2S/c1-7-3-4-18-10(7)11(16)14-8-5-9(13)12(17)15(2)6-8/h3-6H,1-2H3,(H,14,16).
What are the key properties of N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide?
N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide has a molecular weight of 327.20 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-6-oxo-3-pyridinyl)-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 71856501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).