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

C12H8BrN3O2S — CID 71860157

IUPACN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide
SMILESCn1cc(Br)cc(NC(=O)c2sccc2C#N)c1=O
InChIInChI=1S/C12H8BrN3O2S/c1-16-6-8(13)4-9(12(16)18)15-11(17)10-7(5-14)2-3-19-10/h2-4,6H,1H3,(H,15,17)
InChIKeyHFGMOCNZHBQQSM-UHFFFAOYSA-N
MW338.19 g/mol
LogP2.33
Rot. Bonds2

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

N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide (PubChem CID 71860157) has the molecular formula C12H8BrN3O2S and a molecular weight of 338.19 g/mol. Its IUPAC name is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide
PubChem CID71860157
Molecular FormulaC12H8BrN3O2S
Molecular Weight338.19 g/mol
Exact Mass336.95
IUPAC NameN-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide
SMILESCn1cc(Br)cc(NC(=O)c2sccc2C#N)c1=O
InChIInChI=1S/C12H8BrN3O2S/c1-16-6-8(13)4-9(12(16)18)15-11(17)10-7(5-14)2-3-19-10/h2-4,6H,1H3,(H,15,17)
InChIKeyHFGMOCNZHBQQSM-UHFFFAOYSA-N
XLogP2.33
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide?
The IUPAC name of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide (CID 71860157) is N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide?
The canonical SMILES for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide is Cn1cc(Br)cc(NC(=O)c2sccc2C#N)c1=O.
What is the InChIKey of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide?
The InChIKey is HFGMOCNZHBQQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2S/c1-16-6-8(13)4-9(12(16)18)15-11(17)10-7(5-14)2-3-19-10/h2-4,6H,1H3,(H,15,17).
What are the key properties of N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide?
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide has a molecular weight of 338.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-cyanothiophene-2-carboxamide is sourced from PubChem (CID 71860157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).