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N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane

C24H32N4O2 — CID 162130395

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane
SMILESC.CC(C)(C)CC(=O)Nc1nc2ccc(OCc3ccccc3)nc2n1C1CCC1
InChIInChI=1S/C23H28N4O2.CH4/c1-23(2,3)14-19(28)25-22-24-18-12-13-20(29-15-16-8-5-4-6-9-16)26-21(18)27(22)17-10-7-11-17;/h4-6,8-9,12-13,17H,7,10-11,14-15H2,1-3H3,(H,24,25,28);1H4
InChIKeyZIOWCDLUJCIYGR-UHFFFAOYSA-N
MW408.55 g/mol
LogP5.75
Rot. Bonds6

About N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane

N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane (PubChem CID 162130395) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane.

Molecular Properties

Compound NameN-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane
PubChem CID162130395
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane
SMILESC.CC(C)(C)CC(=O)Nc1nc2ccc(OCc3ccccc3)nc2n1C1CCC1
InChIInChI=1S/C23H28N4O2.CH4/c1-23(2,3)14-19(28)25-22-24-18-12-13-20(29-15-16-8-5-4-6-9-16)26-21(18)27(22)17-10-7-11-17;/h4-6,8-9,12-13,17H,7,10-11,14-15H2,1-3H3,(H,24,25,28);1H4
InChIKeyZIOWCDLUJCIYGR-UHFFFAOYSA-N
XLogP5.75
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane?
The IUPAC name of N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane (CID 162130395) is N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane.
What is the SMILES notation for N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane?
The canonical SMILES for N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane is C.CC(C)(C)CC(=O)Nc1nc2ccc(OCc3ccccc3)nc2n1C1CCC1.
What is the InChIKey of N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane?
The InChIKey is ZIOWCDLUJCIYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.CH4/c1-23(2,3)14-19(28)25-22-24-18-12-13-20(29-15-16-8-5-4-6-9-16)26-21(18)27(22)17-10-7-11-17;/h4-6,8-9,12-13,17H,7,10-11,14-15H2,1-3H3,(H,24,25,28);1H4.
What are the key properties of N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane?
N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane has a molecular weight of 408.55 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclobutyl-5-phenylmethoxyimidazo[4,5-b]pyridin-2-yl)-3,3-dimethylbutanamide;methane is sourced from PubChem (CID 162130395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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