N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide

C13H16BrN3O — CID 115268794

IUPACN-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc2ncc(Br)n2c1
InChIInChI=1S/C13H16BrN3O/c1-3-9(4-2)13(18)16-10-5-6-12-15-7-11(14)17(12)8-10/h5-9H,3-4H2,1-2H3,(H,16,18)
InChIKeyJLLIVUVQZJVNKL-UHFFFAOYSA-N
MW310.19 g/mol
LogP3.47
Rot. Bonds4

About N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide

N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide (PubChem CID 115268794) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide.

Molecular Properties

Compound NameN-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide
PubChem CID115268794
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC NameN-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc2ncc(Br)n2c1
InChIInChI=1S/C13H16BrN3O/c1-3-9(4-2)13(18)16-10-5-6-12-15-7-11(14)17(12)8-10/h5-9H,3-4H2,1-2H3,(H,16,18)
InChIKeyJLLIVUVQZJVNKL-UHFFFAOYSA-N
XLogP3.47
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-imidazo[1,2-a]pyridin-6-ylbutanamide
CID 110734672
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)butane-1-sulfonamide
CID 115268819
2-ethyl-N-[4-[[4-(2-ethylbutanoylamino)phenyl]methyl]phenyl]butanamide
CID 2165509
N-(3,4-dibromophenyl)-2-ethylbutanamide
CID 3701645
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
2-ethyl-N-(4-iodophenyl)butanamide
CID 835344
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113020858
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
3-bromo-6-methylimidazo[1,2-a]pyridine
CID 5260646
2-ethyl-N-[4-[4-(2-ethylbutanoylamino)phenoxy]phenyl]butanamide
CID 1000871
N-(3,5-dibromo-4-hydroxyphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17172041
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437

Frequently Asked Questions

What is the IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide?
The IUPAC name of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide (CID 115268794) is N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide.
What is the SMILES notation for N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide?
The canonical SMILES for N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc2ncc(Br)n2c1.
What is the InChIKey of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide?
The InChIKey is JLLIVUVQZJVNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-3-9(4-2)13(18)16-10-5-6-12-15-7-11(14)17(12)8-10/h5-9H,3-4H2,1-2H3,(H,16,18).
What are the key properties of N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide?
N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide has a molecular weight of 310.19 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromoimidazo[1,2-a]pyridin-6-yl)-2-ethylbutanamide is sourced from PubChem (CID 115268794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).