2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide

C21H25N5O — CID 53004141

IUPAC2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCn1c(-c2ccncc2)nc2cccnc21
InChIInChI=1S/C21H25N5O/c27-19(15-16-5-2-1-3-6-16)23-13-14-26-20(17-8-11-22-12-9-17)25-18-7-4-10-24-21(18)26/h4,7-12,16H,1-3,5-6,13-15H2,(H,23,27)
InChIKeyQWQSPRAUKDIFOD-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.58
Rot. Bonds6

About 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide

2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide (PubChem CID 53004141) has the molecular formula C21H25N5O and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
PubChem CID53004141
Molecular FormulaC21H25N5O
Molecular Weight363.46 g/mol
Exact Mass363.21
IUPAC Name2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide
SMILESO=C(CC1CCCCC1)NCCn1c(-c2ccncc2)nc2cccnc21
InChIInChI=1S/C21H25N5O/c27-19(15-16-5-2-1-3-6-16)23-13-14-26-20(17-8-11-22-12-9-17)25-18-7-4-10-24-21(18)26/h4,7-12,16H,1-3,5-6,13-15H2,(H,23,27)
InChIKeyQWQSPRAUKDIFOD-UHFFFAOYSA-N
XLogP3.58
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide (CID 53004141) is 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide is O=C(CC1CCCCC1)NCCn1c(-c2ccncc2)nc2cccnc21.
What is the InChIKey of 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide?
The InChIKey is QWQSPRAUKDIFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c27-19(15-16-5-2-1-3-6-16)23-13-14-26-20(17-8-11-22-12-9-17)25-18-7-4-10-24-21(18)26/h4,7-12,16H,1-3,5-6,13-15H2,(H,23,27).
What are the key properties of 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide?
2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[2-(2-pyridin-4-ylimidazo[4,5-b]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 53004141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).