8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H19N3O2 — CID 63762743

IUPAC8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1nc(N2C3CCC2CC(O)C3)ccc1N
InChIInChI=1S/C13H19N3O2/c1-18-13-11(14)4-5-12(15-13)16-8-2-3-9(16)7-10(17)6-8/h4-5,8-10,17H,2-3,6-7,14H2,1H3
InChIKeyXGABBMKPKIKOMJ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.16
Rot. Bonds2

About 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63762743) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63762743
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCOc1nc(N2C3CCC2CC(O)C3)ccc1N
InChIInChI=1S/C13H19N3O2/c1-18-13-11(14)4-5-12(15-13)16-8-2-3-9(16)7-10(17)6-8/h4-5,8-10,17H,2-3,6-7,14H2,1H3
InChIKeyXGABBMKPKIKOMJ-UHFFFAOYSA-N
XLogP1.16
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 63762743) is 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is COc1nc(N2C3CCC2CC(O)C3)ccc1N.
What is the InChIKey of 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XGABBMKPKIKOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-13-11(14)4-5-12(15-13)16-8-2-3-9(16)7-10(17)6-8/h4-5,8-10,17H,2-3,6-7,14H2,1H3.
What are the key properties of 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 249.31 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-6-methoxy-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63762743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).