2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide

C11H14BrN5O — CID 106346315

IUPAC2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H14BrN5O/c1-5(2)8(9(13)18)17-10-7(16-11(17)14)3-6(12)4-15-10/h3-5,8H,1-2H3,(H2,13,18)(H2,14,16)
InChIKeyWEXUREDBRXTEQH-UHFFFAOYSA-N
MW312.17 g/mol
LogP1.46
Rot. Bonds3

About 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide

2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide (PubChem CID 106346315) has the molecular formula C11H14BrN5O and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide
PubChem CID106346315
Molecular FormulaC11H14BrN5O
Molecular Weight312.17 g/mol
Exact Mass311.04
IUPAC Name2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide
SMILESCC(C)C(C(N)=O)n1c(N)nc2cc(Br)cnc21
InChIInChI=1S/C11H14BrN5O/c1-5(2)8(9(13)18)17-10-7(16-11(17)14)3-6(12)4-15-10/h3-5,8H,1-2H3,(H2,13,18)(H2,14,16)
InChIKeyWEXUREDBRXTEQH-UHFFFAOYSA-N
XLogP1.46
TPSA99.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide?
The IUPAC name of 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide (CID 106346315) is 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide.
What is the SMILES notation for 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide?
The canonical SMILES for 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide is CC(C)C(C(N)=O)n1c(N)nc2cc(Br)cnc21.
What is the InChIKey of 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide?
The InChIKey is WEXUREDBRXTEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O/c1-5(2)8(9(13)18)17-10-7(16-11(17)14)3-6(12)4-15-10/h3-5,8H,1-2H3,(H2,13,18)(H2,14,16).
What are the key properties of 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide?
2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide has a molecular weight of 312.17 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromoimidazo[4,5-b]pyridin-3-yl)-3-methylbutanamide is sourced from PubChem (CID 106346315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).