2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane

C11H15N3O — CID 10219900

IUPAC2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCOc1cncc(N2CC3CC2CN3)c1
InChIInChI=1S/C11H15N3O/c1-15-11-3-10(4-12-6-11)14-7-8-2-9(14)5-13-8/h3-4,6,8-9,13H,2,5,7H2,1H3
InChIKeyWTIVOXCWVQKFER-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.64
Rot. Bonds2

About 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane

2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 10219900) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID10219900
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCOc1cncc(N2CC3CC2CN3)c1
InChIInChI=1S/C11H15N3O/c1-15-11-3-10(4-12-6-11)14-7-8-2-9(14)5-13-8/h3-4,6,8-9,13H,2,5,7H2,1H3
InChIKeyWTIVOXCWVQKFER-UHFFFAOYSA-N
XLogP0.64
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane (CID 10219900) is 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane is COc1cncc(N2CC3CC2CN3)c1.
What is the InChIKey of 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is WTIVOXCWVQKFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-15-11-3-10(4-12-6-11)14-7-8-2-9(14)5-13-8/h3-4,6,8-9,13H,2,5,7H2,1H3.
What are the key properties of 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane?
2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 205.26 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-3-pyridinyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 10219900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).