2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide

C11H13BrN4O2 — CID 134489889

IUPAC2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(=O)n(C)c2ncc(Br)cc21
InChIInChI=1S/C11H13BrN4O2/c1-14(2)9(17)6-16-8-4-7(12)5-13-10(8)15(3)11(16)18/h4-5H,6H2,1-3H3
InChIKeyVJJHULJJGANYCO-UHFFFAOYSA-N
MW313.16 g/mol
LogP0.59
Rot. Bonds2

About 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide

2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide (PubChem CID 134489889) has the molecular formula C11H13BrN4O2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide
PubChem CID134489889
Molecular FormulaC11H13BrN4O2
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(=O)n(C)c2ncc(Br)cc21
InChIInChI=1S/C11H13BrN4O2/c1-14(2)9(17)6-16-8-4-7(12)5-13-10(8)15(3)11(16)18/h4-5H,6H2,1-3H3
InChIKeyVJJHULJJGANYCO-UHFFFAOYSA-N
XLogP0.59
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide (CID 134489889) is 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(=O)n(C)c2ncc(Br)cc21.
What is the InChIKey of 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide?
The InChIKey is VJJHULJJGANYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O2/c1-14(2)9(17)6-16-8-4-7(12)5-13-10(8)15(3)11(16)18/h4-5H,6H2,1-3H3.
What are the key properties of 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide?
2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide has a molecular weight of 313.16 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-3-methyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 134489889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).