2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide

C13H17BrN4O2 — CID 91571089

IUPAC2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1c(=O)[nH]c2c(C)c(Br)cnc21
InChIInChI=1S/C13H17BrN4O2/c1-3-4-5-15-10(19)7-18-12-11(17-13(18)20)8(2)9(14)6-16-12/h6H,3-5,7H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyUXWMVCRVADXHMR-UHFFFAOYSA-N
MW341.21 g/mol
LogP1.71
Rot. Bonds5

About 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide

2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide (PubChem CID 91571089) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide
PubChem CID91571089
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide
SMILESCCCCNC(=O)Cn1c(=O)[nH]c2c(C)c(Br)cnc21
InChIInChI=1S/C13H17BrN4O2/c1-3-4-5-15-10(19)7-18-12-11(17-13(18)20)8(2)9(14)6-16-12/h6H,3-5,7H2,1-2H3,(H,15,19)(H,17,20)
InChIKeyUXWMVCRVADXHMR-UHFFFAOYSA-N
XLogP1.71
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide?
The IUPAC name of 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide (CID 91571089) is 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide.
What is the SMILES notation for 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide?
The canonical SMILES for 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide is CCCCNC(=O)Cn1c(=O)[nH]c2c(C)c(Br)cnc21.
What is the InChIKey of 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide?
The InChIKey is UXWMVCRVADXHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-3-4-5-15-10(19)7-18-12-11(17-13(18)20)8(2)9(14)6-16-12/h6H,3-5,7H2,1-2H3,(H,15,19)(H,17,20).
What are the key properties of 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide?
2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide has a molecular weight of 341.21 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)-N-butylacetamide is sourced from PubChem (CID 91571089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).