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

C16H15BrN4O — CID 14390266

IUPAC2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21
InChIInChI=1S/C16H15BrN4O/c1-20(2)14(22)10-21-15(11-5-7-12(17)8-6-11)19-13-4-3-9-18-16(13)21/h3-9H,10H2,1-2H3
InChIKeyXGQLAZMPDNOORS-UHFFFAOYSA-N
MW359.23 g/mol
LogP2.95
Rot. Bonds3

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

2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (PubChem CID 14390266) has the molecular formula C16H15BrN4O and a molecular weight of 359.23 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
PubChem CID14390266
Molecular FormulaC16H15BrN4O
Molecular Weight359.23 g/mol
Exact Mass358.04
IUPAC Name2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21
InChIInChI=1S/C16H15BrN4O/c1-20(2)14(22)10-21-15(11-5-7-12(17)8-6-11)19-13-4-3-9-18-16(13)21/h3-9H,10H2,1-2H3
InChIKeyXGQLAZMPDNOORS-UHFFFAOYSA-N
XLogP2.95
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide (CID 14390266) is 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1c(-c2ccc(Br)cc2)nc2cccnc21.
What is the InChIKey of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
The InChIKey is XGQLAZMPDNOORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O/c1-20(2)14(22)10-21-15(11-5-7-12(17)8-6-11)19-13-4-3-9-18-16(13)21/h3-9H,10H2,1-2H3.
What are the key properties of 2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide?
2-[2-(4-bromophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide has a molecular weight of 359.23 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 14390266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).