2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

C21H22N4O4 — CID 53159372

IUPAC2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cn1c(=O)n(C2CCCC2)c2ncccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22N4O4/c26-19(23-14-7-8-17-18(12-14)29-11-10-28-17)13-24-16-6-3-9-22-20(16)25(21(24)27)15-4-1-2-5-15/h3,6-9,12,15H,1-2,4-5,10-11,13H2,(H,23,26)
InChIKeyZKJPFVMNYOWMDM-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.72
Rot. Bonds4

About 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (PubChem CID 53159372) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
PubChem CID53159372
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SMILESO=C(Cn1c(=O)n(C2CCCC2)c2ncccc21)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C21H22N4O4/c26-19(23-14-7-8-17-18(12-14)29-11-10-28-17)13-24-16-6-3-9-22-20(16)25(21(24)27)15-4-1-2-5-15/h3,6-9,12,15H,1-2,4-5,10-11,13H2,(H,23,26)
InChIKeyZKJPFVMNYOWMDM-UHFFFAOYSA-N
XLogP2.72
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 95807337
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 71841294
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-propan-2-ylacetamide
CID 53159374
N-[(4-chlorophenyl)methyl]-2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159382
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 16669053
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 71841276
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-oxo-1,3-benzothiazol-3-yl)acetamide
CID 644429
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 45030627
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetaldehyde
CID 58710621
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)acetamide
CID 18147630
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 98336864

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The IUPAC name of 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide (CID 53159372) is 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide.
What is the SMILES notation for 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The canonical SMILES for 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is O=C(Cn1c(=O)n(C2CCCC2)c2ncccc21)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
The InChIKey is ZKJPFVMNYOWMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c26-19(23-14-7-8-17-18(12-14)29-11-10-28-17)13-24-16-6-3-9-22-20(16)25(21(24)27)15-4-1-2-5-15/h3,6-9,12,15H,1-2,4-5,10-11,13H2,(H,23,26).
What are the key properties of 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide?
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide has a molecular weight of 394.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide is sourced from PubChem (CID 53159372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).