N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

C19H20N4O4 — CID 16669053

IUPACN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c2cccnc21
InChIInChI=1S/C19H20N4O4/c1-4-22-17-13(6-5-9-20-17)23(18(22)25)11-16(24)21-12-7-8-14-15(10-12)27-19(2,3)26-14/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyKQBWMRVNXUYTEV-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.36
Rot. Bonds4

About N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide

N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 16669053) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
PubChem CID16669053
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC NameN-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c2cccnc21
InChIInChI=1S/C19H20N4O4/c1-4-22-17-13(6-5-9-20-17)23(18(22)25)11-16(24)21-12-7-8-14-15(10-12)27-19(2,3)26-14/h5-10H,4,11H2,1-3H3,(H,21,24)
InChIKeyKQBWMRVNXUYTEV-UHFFFAOYSA-N
XLogP2.36
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.36
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
N-(2,5-dimethoxyphenyl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 95849281
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 53159372
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
2-(2-oxoquinoxalin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 8891989
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 16675065
2-(3-cyclopentyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(3-ethylphenyl)acetamide
CID 53159371
2-(2-oxo-1,3-benzoxazol-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 17495957
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 2114683
3-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1,1-diethylurea
CID 47223959
2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 55836005

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The IUPAC name of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (CID 16669053) is N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is CCn1c(=O)n(CC(=O)Nc2ccc3c(c2)OC(C)(C)O3)c2cccnc21.
What is the InChIKey of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The InChIKey is KQBWMRVNXUYTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-4-22-17-13(6-5-9-20-17)23(18(22)25)11-16(24)21-12-7-8-14-15(10-12)27-19(2,3)26-14/h5-10H,4,11H2,1-3H3,(H,21,24).
What are the key properties of N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 16669053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).