2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane

C14H20N2O — CID 18460990

IUPAC2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane
SMILESCCOc1cncc(CC2CC3CCN2C3)c1
InChIInChI=1S/C14H20N2O/c1-2-17-14-7-12(8-15-9-14)6-13-5-11-3-4-16(13)10-11/h7-9,11,13H,2-6,10H2,1H3
InChIKeySWFRILWRPVTVDB-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.12
Rot. Bonds4

About 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane

2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane (PubChem CID 18460990) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane
PubChem CID18460990
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane
SMILESCCOc1cncc(CC2CC3CCN2C3)c1
InChIInChI=1S/C14H20N2O/c1-2-17-14-7-12(8-15-9-14)6-13-5-11-3-4-16(13)10-11/h7-9,11,13H,2-6,10H2,1H3
InChIKeySWFRILWRPVTVDB-UHFFFAOYSA-N
XLogP2.12
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(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
3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-5-propylpyridine;dihydrochloride
CID 67585227
3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
CID 67615056
(5-ethoxy-3-pyridinyl)-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124748673
4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one
CID 83261226
3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane
CID 91456410
[5-(3-ethoxyphenoxy)-3-pyridinyl]methanamine
CID 113469599
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline
CID 166356932
3-(2,2-difluoroethoxy)-5-ethoxypyridine
CID 150828183
5-[(1-methylpyrrolidin-2-yl)methoxy]pyridin-3-ol
CID 122208649

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane (CID 18460990) is 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane is CCOc1cncc(CC2CC3CCN2C3)c1.
What is the InChIKey of 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane?
The InChIKey is SWFRILWRPVTVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-17-14-7-12(8-15-9-14)6-13-5-11-3-4-16(13)10-11/h7-9,11,13H,2-6,10H2,1H3.
What are the key properties of 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane?
2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane has a molecular weight of 232.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 18460990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).