2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C17H14BrN3O3 — CID 53153760

IUPAC2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1cn2cc(Br)ccc2n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14BrN3O3/c18-11-1-4-16-19-13(10-21(16)9-11)8-17(22)20-12-2-3-14-15(7-12)24-6-5-23-14/h1-4,7,9-10H,5-6,8H2,(H,20,22)
InChIKeyRWYBKJFHKIDWNV-UHFFFAOYSA-N
MW388.22 g/mol
LogP3.05
Rot. Bonds3

About 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 53153760) has the molecular formula C17H14BrN3O3 and a molecular weight of 388.22 g/mol. Its IUPAC name is 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID53153760
Molecular FormulaC17H14BrN3O3
Molecular Weight388.22 g/mol
Exact Mass387.02
IUPAC Name2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cc1cn2cc(Br)ccc2n1)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C17H14BrN3O3/c18-11-1-4-16-19-13(10-21(16)9-11)8-17(22)20-12-2-3-14-15(7-12)24-6-5-23-14/h1-4,7,9-10H,5-6,8H2,(H,20,22)
InChIKeyRWYBKJFHKIDWNV-UHFFFAOYSA-N
XLogP3.05
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.22
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-imidazo[1,2-a]pyridin-2-ylacetamide
CID 42939704
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 2958672
2-[9-[2-oxo-2-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-ylamino)ethyl]-1,10-phenanthrolin-2-yl]-N-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)acetamide
CID 101239328
N,N'-bis(2,3-dihydro-1,4-benzodioxin-6-yl)hexanediamide
CID 2930949
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]acetamide
CID 110386812
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 33141890
2-(4-aminophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 24689811
(2S)-2-[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 97204369
4-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzamide
CID 732526
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-oxobutanamide
CID 2885675
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-hydroxyacetamide
CID 16769727
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 892697

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 53153760) is 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cc1cn2cc(Br)ccc2n1)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is RWYBKJFHKIDWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O3/c18-11-1-4-16-19-13(10-21(16)9-11)8-17(22)20-12-2-3-14-15(7-12)24-6-5-23-14/h1-4,7,9-10H,5-6,8H2,(H,20,22).
What are the key properties of 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 388.22 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoimidazo[1,2-a]pyridin-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 53153760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).