4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide

C20H22N4O — CID 118723481

IUPAC4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C20H22N4O/c1-23(2)20(25)15-11-9-14(10-12-15)18-22-17-8-5-13-21-19(17)24(18)16-6-3-4-7-16/h5,8-13,16H,3-4,6-7H2,1-2H3
InChIKeyVFQXVEFEMKVMIS-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.92
Rot. Bonds3

About 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide

4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide (PubChem CID 118723481) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide
PubChem CID118723481
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1
InChIInChI=1S/C20H22N4O/c1-23(2)20(25)15-11-9-14(10-12-15)18-22-17-8-5-13-21-19(17)24(18)16-6-3-4-7-16/h5,8-13,16H,3-4,6-7H2,1-2H3
InChIKeyVFQXVEFEMKVMIS-UHFFFAOYSA-N
XLogP3.92
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide (CID 118723481) is 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(-c2nc3cccnc3n2C2CCCC2)cc1.
What is the InChIKey of 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide?
The InChIKey is VFQXVEFEMKVMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-23(2)20(25)15-11-9-14(10-12-15)18-22-17-8-5-13-21-19(17)24(18)16-6-3-4-7-16/h5,8-13,16H,3-4,6-7H2,1-2H3.
What are the key properties of 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide?
4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 118723481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).