N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide

C17H17BrN4O — CID 646795

IUPACN-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(nc1C)nc(C)n2Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN4O/c1-10-15(21-12(3)23)8-16-17(19-10)20-11(2)22(16)9-13-4-6-14(18)7-5-13/h4-8H,9H2,1-3H3,(H,21,23)
InChIKeyGDBFFIHZUWCWKU-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.82
Rot. Bonds3

About N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide

N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide (PubChem CID 646795) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide
PubChem CID646795
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC NameN-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide
SMILESCC(=O)Nc1cc2c(nc1C)nc(C)n2Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrN4O/c1-10-15(21-12(3)23)8-16-17(19-10)20-11(2)22(16)9-13-4-6-14(18)7-5-13/h4-8H,9H2,1-3H3,(H,21,23)
InChIKeyGDBFFIHZUWCWKU-UHFFFAOYSA-N
XLogP3.82
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide?
The IUPAC name of N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide (CID 646795) is N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide.
What is the SMILES notation for N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide?
The canonical SMILES for N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide is CC(=O)Nc1cc2c(nc1C)nc(C)n2Cc1ccc(Br)cc1.
What is the InChIKey of N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide?
The InChIKey is GDBFFIHZUWCWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c1-10-15(21-12(3)23)8-16-17(19-10)20-11(2)22(16)9-13-4-6-14(18)7-5-13/h4-8H,9H2,1-3H3,(H,21,23).
What are the key properties of N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide?
N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide has a molecular weight of 373.25 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-bromophenyl)methyl]-2,5-dimethylimidazo[4,5-b]pyridin-6-yl]acetamide is sourced from PubChem (CID 646795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).