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

C20H24N4O2 — CID 134791400

IUPACbenzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCCCCn1c(C(C)NC(=O)OCc2ccccc2)nc2cccnc21
InChIInChI=1S/C20H24N4O2/c1-3-4-13-24-18(23-17-11-8-12-21-19(17)24)15(2)22-20(25)26-14-16-9-6-5-7-10-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyVWIHRWBVTQAWBK-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.22
Rot. Bonds7

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

benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (PubChem CID 134791400) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
PubChem CID134791400
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Namebenzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCCCCn1c(C(C)NC(=O)OCc2ccccc2)nc2cccnc21
InChIInChI=1S/C20H24N4O2/c1-3-4-13-24-18(23-17-11-8-12-21-19(17)24)15(2)22-20(25)26-14-16-9-6-5-7-10-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,25)
InChIKeyVWIHRWBVTQAWBK-UHFFFAOYSA-N
XLogP4.22
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.22
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-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (CID 134791400) is benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is CCCCn1c(C(C)NC(=O)OCc2ccccc2)nc2cccnc21.
What is the InChIKey of benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The InChIKey is VWIHRWBVTQAWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-4-13-24-18(23-17-11-8-12-21-19(17)24)15(2)22-20(25)26-14-16-9-6-5-7-10-16/h5-12,15H,3-4,13-14H2,1-2H3,(H,22,25).
What are the key properties of benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate has a molecular weight of 352.44 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(3-butylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 134791400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).