2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane

C17H24N2O — CID 56993363

IUPAC2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane
SMILESCC(C)(C)Oc1cncc(C=C2CC3CCN2CC3)c1
InChIInChI=1S/C17H24N2O/c1-17(2,3)20-16-10-14(11-18-12-16)9-15-8-13-4-6-19(15)7-5-13/h9-13H,4-8H2,1-3H3
InChIKeySUHWNDHHVOOMIG-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.72
Rot. Bonds2

About 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane

2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane (PubChem CID 56993363) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane
PubChem CID56993363
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane
SMILESCC(C)(C)Oc1cncc(C=C2CC3CCN2CC3)c1
InChIInChI=1S/C17H24N2O/c1-17(2,3)20-16-10-14(11-18-12-16)9-15-8-13-4-6-19(15)7-5-13/h9-13H,4-8H2,1-3H3
InChIKeySUHWNDHHVOOMIG-UHFFFAOYSA-N
XLogP3.72
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane with MolForge

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Related Compounds

(2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane
CID 18461073
(2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane
CID 18461059
2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane
CID 57095578
1-[2-methyl-4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxylic acid
CID 82537845
3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine
CID 67001177
tert-butyl (2R)-2-[[5-(5,5-dimethylhexa-1,3-dienyl)-3-pyridinyl]oxymethyl]pyrrolidine-1-carboxylate
CID 54009539
tert-butyl (3R)-3-[2-[5-(oxan-4-yloxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylate
CID 90882027
tert-butyl 2-[1-bromo-2-[5-(4-hydroxyphenoxy)-3-pyridinyl]ethenyl]pyrrolidine-1-carboxylate
CID 173187485
tert-butyl N-[(2S)-5-[5-[(3R)-1-(3,3-dimethylbutanoyl)pyrrolidin-3-yl]oxy-3-pyridinyl]pent-4-en-2-yl]-N-methylcarbamate
CID 154069304
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-[(E)-2-phenylethenyl]pyridine;dihydrochloride
CID 22872690
tert-butyl (2S)-2-[(5-trimethylstannyl-3-pyridinyl)oxymethyl]azetidine-1-carboxylate
CID 10574471
tert-butyl 4-[(5-methyl-3-pyridinyl)oxy]piperidine-1-carboxylate
CID 145472944

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane?
The IUPAC name of 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane (CID 56993363) is 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane is CC(C)(C)Oc1cncc(C=C2CC3CCN2CC3)c1.
What is the InChIKey of 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane?
The InChIKey is SUHWNDHHVOOMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-17(2,3)20-16-10-14(11-18-12-16)9-15-8-13-4-6-19(15)7-5-13/h9-13H,4-8H2,1-3H3.
What are the key properties of 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane?
2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane has a molecular weight of 272.39 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 56993363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).