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

C22H26N4O2 — CID 53159393

IUPACN-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCn1c(=O)n(Cc2ccccc2)c2cccnc21)C1CCCCC1
InChIInChI=1S/C22H26N4O2/c27-21(18-10-5-2-6-11-18)24-14-15-25-20-19(12-7-13-23-20)26(22(25)28)16-17-8-3-1-4-9-17/h1,3-4,7-9,12-13,18H,2,5-6,10-11,14-16H2,(H,24,27)
InChIKeyQHKVRROYPSAHLQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.94
Rot. Bonds6

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

N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide (PubChem CID 53159393) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide
PubChem CID53159393
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCn1c(=O)n(Cc2ccccc2)c2cccnc21)C1CCCCC1
InChIInChI=1S/C22H26N4O2/c27-21(18-10-5-2-6-11-18)24-14-15-25-20-19(12-7-13-23-20)26(22(25)28)16-17-8-3-1-4-9-17/h1,3-4,7-9,12-13,18H,2,5-6,10-11,14-16H2,(H,24,27)
InChIKeyQHKVRROYPSAHLQ-UHFFFAOYSA-N
XLogP2.94
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide (CID 53159393) is N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide is O=C(NCCn1c(=O)n(Cc2ccccc2)c2cccnc21)C1CCCCC1.
What is the InChIKey of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is QHKVRROYPSAHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c27-21(18-10-5-2-6-11-18)24-14-15-25-20-19(12-7-13-23-20)26(22(25)28)16-17-8-3-1-4-9-17/h1,3-4,7-9,12-13,18H,2,5-6,10-11,14-16H2,(H,24,27).
What are the key properties of N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzyl-2-oxoimidazo[4,5-b]pyridin-3-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 53159393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).