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

C19H20N4O2 — CID 134789340

IUPACbenzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1C1CC1
InChIInChI=1S/C19H20N4O2/c1-13(21-19(24)25-12-14-6-3-2-4-7-14)17-22-16-8-5-11-20-18(16)23(17)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,21,24)
InChIKeySWNGVWWTFMBTBG-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.75
Rot. Bonds5

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

benzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (PubChem CID 134789340) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is benzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
PubChem CID134789340
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Namebenzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1C1CC1
InChIInChI=1S/C19H20N4O2/c1-13(21-19(24)25-12-14-6-3-2-4-7-14)17-22-16-8-5-11-20-18(16)23(17)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,21,24)
InChIKeySWNGVWWTFMBTBG-UHFFFAOYSA-N
XLogP3.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.75
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-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate (CID 134789340) is benzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is CC(NC(=O)OCc1ccccc1)c1nc2cccnc2n1C1CC1.
What is the InChIKey of benzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
The InChIKey is SWNGVWWTFMBTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13(21-19(24)25-12-14-6-3-2-4-7-14)17-22-16-8-5-11-20-18(16)23(17)15-9-10-15/h2-8,11,13,15H,9-10,12H2,1H3,(H,21,24).
What are the key properties of benzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate?
benzyl N-[1-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate has a molecular weight of 336.40 g/mol, XLogP of 3.75, 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-cyclopropylimidazo[4,5-b]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 134789340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).