3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide

C21H20N4OS — CID 122445528

IUPAC3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C21H20N4OS/c26-20(23-14-17-8-5-13-27-17)11-10-19-24-18-9-4-12-22-21(18)25(19)15-16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,23,26)
InChIKeyYXBKTLNDXALYBD-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.79
Rot. Bonds7

About 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide

3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 122445528) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID122445528
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1ccccc1)NCc1cccs1
InChIInChI=1S/C21H20N4OS/c26-20(23-14-17-8-5-13-27-17)11-10-19-24-18-9-4-12-22-21(18)25(19)15-16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,23,26)
InChIKeyYXBKTLNDXALYBD-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide (CID 122445528) is 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide is O=C(CCc1nc2cccnc2n1Cc1ccccc1)NCc1cccs1.
What is the InChIKey of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is YXBKTLNDXALYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c26-20(23-14-17-8-5-13-27-17)11-10-19-24-18-9-4-12-22-21(18)25(19)15-16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,23,26).
What are the key properties of 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide?
3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 376.49 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-benzylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 122445528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).