N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide

C16H12BrN3O2 — CID 139797441

IUPACN-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide
SMILESCc1nc2c(-c3ccccc3)ccc(NC(=O)C=O)n2c1Br
InChIInChI=1S/C16H12BrN3O2/c1-10-15(17)20-13(19-14(22)9-21)8-7-12(16(20)18-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,22)
InChIKeyBTHUJXPNUMTAMK-UHFFFAOYSA-N
MW358.20 g/mol
LogP3.21
Rot. Bonds3

About N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide

N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide (PubChem CID 139797441) has the molecular formula C16H12BrN3O2 and a molecular weight of 358.20 g/mol. Its IUPAC name is N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide
PubChem CID139797441
Molecular FormulaC16H12BrN3O2
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC NameN-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide
SMILESCc1nc2c(-c3ccccc3)ccc(NC(=O)C=O)n2c1Br
InChIInChI=1S/C16H12BrN3O2/c1-10-15(17)20-13(19-14(22)9-21)8-7-12(16(20)18-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,22)
InChIKeyBTHUJXPNUMTAMK-UHFFFAOYSA-N
XLogP3.21
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.20
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide?
The IUPAC name of N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide (CID 139797441) is N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide.
What is the SMILES notation for N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide?
The canonical SMILES for N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide is Cc1nc2c(-c3ccccc3)ccc(NC(=O)C=O)n2c1Br.
What is the InChIKey of N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide?
The InChIKey is BTHUJXPNUMTAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O2/c1-10-15(17)20-13(19-14(22)9-21)8-7-12(16(20)18-10)11-5-3-2-4-6-11/h2-9H,1H3,(H,19,22).
What are the key properties of N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide?
N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide has a molecular weight of 358.20 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-methyl-8-phenylimidazo[1,2-a]pyridin-5-yl)-2-oxoacetamide is sourced from PubChem (CID 139797441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).