2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide

C15H13BrN4O — CID 14390268

IUPAC2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21
InChIInChI=1S/C15H13BrN4O/c1-17-13(21)9-20-14(10-4-6-11(16)7-5-10)19-12-3-2-8-18-15(12)20/h2-8H,9H2,1H3,(H,17,21)
InChIKeyGFLYCEQSKQUBDA-UHFFFAOYSA-N
MW345.20 g/mol
LogP2.61
Rot. Bonds3

About 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide

2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide (PubChem CID 14390268) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide
PubChem CID14390268
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide
SMILESCNC(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21
InChIInChI=1S/C15H13BrN4O/c1-17-13(21)9-20-14(10-4-6-11(16)7-5-10)19-12-3-2-8-18-15(12)20/h2-8H,9H2,1H3,(H,17,21)
InChIKeyGFLYCEQSKQUBDA-UHFFFAOYSA-N
XLogP2.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide
CID 14390300
2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-pyridin-3-ylacetamide;hydrate
CID 14390302
2-[2-(3-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide
CID 14390228
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-propylacetamide
CID 14390236
2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone;(E)-but-2-enedioic acid
CID 15617208
ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate
CID 14390235
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[2-(dimethylamino)ethyl]acetamide;dihydrochloride
CID 14390215
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-ethylacetamide
CID 17033254
2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane
CID 70357001
2-[2-(4-fluorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dipropylacetamide
CID 14390399
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-[4-(dimethylamino)phenyl]-N-methylacetamide
CID 14390370
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide?
The IUPAC name of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide (CID 14390268) is 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide is CNC(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21.
What is the InChIKey of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide?
The InChIKey is GFLYCEQSKQUBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-17-13(21)9-20-14(10-4-6-11(16)7-5-10)19-12-3-2-8-18-15(12)20/h2-8H,9H2,1H3,(H,17,21).
What are the key properties of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide?
2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide has a molecular weight of 345.20 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methylacetamide is sourced from PubChem (CID 14390268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).