N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide

C18H26N4O — CID 170109994

IUPACN-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
SMILESCc1cc(C)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2n1
InChIInChI=1S/C18H26N4O/c1-11-9-12(2)19-16-15(11)21-17(22(16)13-7-6-8-13)20-14(23)10-18(3,4)5/h9,13H,6-8,10H2,1-5H3,(H,20,21,23)
InChIKeyOKKZIBCUCYEADU-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.15
Rot. Bonds3

About N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide

N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide (PubChem CID 170109994) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
PubChem CID170109994
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide
SMILESCc1cc(C)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2n1
InChIInChI=1S/C18H26N4O/c1-11-9-12(2)19-16-15(11)21-17(22(16)13-7-6-8-13)20-14(23)10-18(3,4)5/h9,13H,6-8,10H2,1-5H3,(H,20,21,23)
InChIKeyOKKZIBCUCYEADU-UHFFFAOYSA-N
XLogP4.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide (CID 170109994) is N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide is Cc1cc(C)c2nc(NC(=O)CC(C)(C)C)n(C3CCC3)c2n1.
What is the InChIKey of N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide?
The InChIKey is OKKZIBCUCYEADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-11-9-12(2)19-16-15(11)21-17(22(16)13-7-6-8-13)20-14(23)10-18(3,4)5/h9,13H,6-8,10H2,1-5H3,(H,20,21,23).
What are the key properties of N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide?
N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide has a molecular weight of 314.43 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-5,7-dimethylimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 170109994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).