N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide

C21H23N5O2 — CID 68522516

IUPACN-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(C#N)c3)cnc21
InChIInChI=1S/C21H23N5O2/c1-3-5-9-23-19(27)14-26-20-18(25(4-2)21(26)28)11-17(13-24-20)16-8-6-7-15(10-16)12-22/h6-8,10-11,13H,3-5,9,14H2,1-2H3,(H,23,27)
InChIKeyMIRHIZPBASABPG-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.67
Rot. Bonds7

About N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide

N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide (PubChem CID 68522516) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide
PubChem CID68522516
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide
SMILESCCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(C#N)c3)cnc21
InChIInChI=1S/C21H23N5O2/c1-3-5-9-23-19(27)14-26-20-18(25(4-2)21(26)28)11-17(13-24-20)16-8-6-7-15(10-16)12-22/h6-8,10-11,13H,3-5,9,14H2,1-2H3,(H,23,27)
InChIKeyMIRHIZPBASABPG-UHFFFAOYSA-N
XLogP2.67
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide?
The IUPAC name of N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide (CID 68522516) is N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide is CCCCNC(=O)Cn1c(=O)n(CC)c2cc(-c3cccc(C#N)c3)cnc21.
What is the InChIKey of N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide?
The InChIKey is MIRHIZPBASABPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-5-9-23-19(27)14-26-20-18(25(4-2)21(26)28)11-17(13-24-20)16-8-6-7-15(10-16)12-22/h6-8,10-11,13H,3-5,9,14H2,1-2H3,(H,23,27).
What are the key properties of N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide?
N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[6-(3-cyanophenyl)-1-ethyl-2-oxoimidazo[4,5-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 68522516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).