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

C20H24N4O4 — CID 16675065

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c2cccnc21
InChIInChI=1S/C20H24N4O4/c1-4-23-19-15(6-5-10-22-19)24(20(23)26)13-18(25)21-11-9-14-7-8-16(27-2)17(12-14)28-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,21,25)
InChIKeyGDJKKXOFKQKUMH-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.59
Rot. Bonds8

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 16675065) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
PubChem CID16675065
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c2cccnc21
InChIInChI=1S/C20H24N4O4/c1-4-23-19-15(6-5-10-22-19)24(20(23)26)13-18(25)21-11-9-14-7-8-16(27-2)17(12-14)28-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,21,25)
InChIKeyGDJKKXOFKQKUMH-UHFFFAOYSA-N
XLogP1.59
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dimethoxyphenyl)-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide
CID 95849281
2-[3-[2-(4-chlorophenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22423536
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 16801024
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2,4-dioxo-3-(2-thiophen-2-ylethyl)quinazolin-1-yl]acetamide
CID 46925514
2-(3-benzyl-6-chloro-2,4-dioxoquinazolin-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 22429536
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 46247482
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 91638328
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486494
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(5-propyl-1,3,4-oxadiazol-2-yl)indol-1-yl]acetamide
CID 16835973
N-(3-chloro-4-methylphenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxopyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240826
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-[2-(4-aminophenyl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 119548641

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide (CID 16675065) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is CCn1c(=O)n(CC(=O)NCCc2ccc(OC)c(OC)c2)c2cccnc21.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
The InChIKey is GDJKKXOFKQKUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-4-23-19-15(6-5-10-22-19)24(20(23)26)13-18(25)21-11-9-14-7-8-16(27-2)17(12-14)28-3/h5-8,10,12H,4,9,11,13H2,1-3H3,(H,21,25).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethyl-2-oxoimidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 16675065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).