N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide

C21H26N6O2 — CID 53159323

IUPACN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)CC1
InChIInChI=1S/C21H26N6O2/c1-24-12-14-25(15-13-24)11-10-22-19(28)16-26-18-8-5-9-23-20(18)27(21(26)29)17-6-3-2-4-7-17/h2-9H,10-16H2,1H3,(H,22,28)
InChIKeyKBSWGSRJMCFCAI-UHFFFAOYSA-N
MW394.48 g/mol
LogP0.55
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide

N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide (PubChem CID 53159323) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
PubChem CID53159323
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
SMILESCN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)CC1
InChIInChI=1S/C21H26N6O2/c1-24-12-14-25(15-13-24)11-10-22-19(28)16-26-18-8-5-9-23-20(18)27(21(26)29)17-6-3-2-4-7-17/h2-9H,10-16H2,1H3,(H,22,28)
InChIKeyKBSWGSRJMCFCAI-UHFFFAOYSA-N
XLogP0.55
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2S)-2-ethylpiperidin-1-yl]ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 95099407
N-(3-methoxypropyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159278
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-propylacetamide
CID 71841486
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 71841482
N-(2-ethylphenyl)-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 71841504
2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)-N-(1-pyridin-2-ylethyl)acetamide
CID 53200902
N-[3-(4-methylpiperazin-1-yl)propyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)acetamide
CID 22553432
N-[(2,5-difluorophenyl)methyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159259
2-(3-cyclohexyl-2-oxoimidazo[4,5-b]pyridin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 53159343
N-[(2-fluorophenyl)methyl]-2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]acetamide
CID 71841450
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
CID 71841464
N-benzyl-N-methyl-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide
CID 53159300

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide (CID 53159323) is N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide is CN1CCN(CCNC(=O)Cn2c(=O)n(-c3ccccc3)c3ncccc32)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?
The InChIKey is KBSWGSRJMCFCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-24-12-14-25(15-13-24)11-10-22-19(28)16-26-18-8-5-9-23-20(18)27(21(26)29)17-6-3-2-4-7-17/h2-9H,10-16H2,1H3,(H,22,28).
What are the key properties of N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide?
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(2-oxo-3-phenylimidazo[4,5-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 53159323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).