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

C22H26N4O2 — CID 134789833

IUPACbenzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C22H26N4O2/c1-16(24-22(27)28-15-17-9-4-2-5-10-17)20-25-19-13-8-14-23-21(19)26(20)18-11-6-3-7-12-18/h2,4-5,8-10,13-14,16,18H,3,6-7,11-12,15H2,1H3,(H,24,27)
InChIKeyPCAXCMZTHQNRIW-UHFFFAOYSA-N
MW378.48 g/mol
LogP4.92
Rot. Bonds5

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

benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (PubChem CID 134789833) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
PubChem CID134789833
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Namebenzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1C1CCCCC1
InChIInChI=1S/C22H26N4O2/c1-16(24-22(27)28-15-17-9-4-2-5-10-17)20-25-19-13-8-14-23-21(19)26(20)18-11-6-3-7-12-18/h2,4-5,8-10,13-14,16,18H,3,6-7,11-12,15H2,1H3,(H,24,27)
InChIKeyPCAXCMZTHQNRIW-UHFFFAOYSA-N
XLogP4.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (CID 134789833) is benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is CC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1C1CCCCC1.
What is the InChIKey of benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The InChIKey is PCAXCMZTHQNRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(24-22(27)28-15-17-9-4-2-5-10-17)20-25-19-13-8-14-23-21(19)26(20)18-11-6-3-7-12-18/h2,4-5,8-10,13-14,16,18H,3,6-7,11-12,15H2,1H3,(H,24,27).
What are the key properties of benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate has a molecular weight of 378.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 134789833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).