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

C23H22N4O2 — CID 71841464

IUPAC2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(-n2c(=O)n(CC(=O)NC(C)c3ccccc3)c3cccnc32)cc1
InChIInChI=1S/C23H22N4O2/c1-16-10-12-19(13-11-16)27-22-20(9-6-14-24-22)26(23(27)29)15-21(28)25-17(2)18-7-4-3-5-8-18/h3-14,17H,15H2,1-2H3,(H,25,28)
InChIKeyFNRWBBRETBTEFG-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.37
Rot. Bonds5

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

2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide (PubChem CID 71841464) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
PubChem CID71841464
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide
SMILESCc1ccc(-n2c(=O)n(CC(=O)NC(C)c3ccccc3)c3cccnc32)cc1
InChIInChI=1S/C23H22N4O2/c1-16-10-12-19(13-11-16)27-22-20(9-6-14-24-22)26(23(27)29)15-21(28)25-17(2)18-7-4-3-5-8-18/h3-14,17H,15H2,1-2H3,(H,25,28)
InChIKeyFNRWBBRETBTEFG-UHFFFAOYSA-N
XLogP3.37
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide (CID 71841464) is 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide is Cc1ccc(-n2c(=O)n(CC(=O)NC(C)c3ccccc3)c3cccnc32)cc1.
What is the InChIKey of 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide?
The InChIKey is FNRWBBRETBTEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-10-12-19(13-11-16)27-22-20(9-6-14-24-22)26(23(27)29)15-21(28)25-17(2)18-7-4-3-5-8-18/h3-14,17H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide?
2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide has a molecular weight of 386.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylphenyl)-2-oxoimidazo[4,5-b]pyridin-1-yl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 71841464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).