9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone

C15H20N2O2 — CID 171943405

IUPAC9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)C2CC3CCCC(C2)N3)ccn1
InChIInChI=1S/C15H20N2O2/c1-19-14-9-10(5-6-16-14)15(18)11-7-12-3-2-4-13(8-11)17-12/h5-6,9,11-13,17H,2-4,7-8H2,1H3
InChIKeyBJDWXUAONXNIGY-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.19
Rot. Bonds3

About 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone

9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone (PubChem CID 171943405) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
PubChem CID171943405
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
SMILESCOc1cc(C(=O)C2CC3CCCC(C2)N3)ccn1
InChIInChI=1S/C15H20N2O2/c1-19-14-9-10(5-6-16-14)15(18)11-7-12-3-2-4-13(8-11)17-12/h5-6,9,11-13,17H,2-4,7-8H2,1H3
InChIKeyBJDWXUAONXNIGY-UHFFFAOYSA-N
XLogP2.19
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone (CID 171943405) is 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone is COc1cc(C(=O)C2CC3CCCC(C2)N3)ccn1.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone?
The InChIKey is BJDWXUAONXNIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-19-14-9-10(5-6-16-14)15(18)11-7-12-3-2-4-13(8-11)17-12/h5-6,9,11-13,17H,2-4,7-8H2,1H3.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone has a molecular weight of 260.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 171943405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).