3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone

C14H19N3O2 — CID 146602419

IUPAC3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)N2CC3CCC2CNC3)n1
InChIInChI=1S/C14H19N3O2/c1-19-13-4-2-3-12(16-13)14(18)17-9-10-5-6-11(17)8-15-7-10/h2-4,10-11,15H,5-9H2,1H3
InChIKeyJNKDHSRQBANXOC-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.91
Rot. Bonds2

About 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone

3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone (PubChem CID 146602419) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone
PubChem CID146602419
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone
SMILESCOc1cccc(C(=O)N2CC3CCC2CNC3)n1
InChIInChI=1S/C14H19N3O2/c1-19-13-4-2-3-12(16-13)14(18)17-9-10-5-6-11(17)8-15-7-10/h2-4,10-11,15H,5-9H2,1H3
InChIKeyJNKDHSRQBANXOC-UHFFFAOYSA-N
XLogP0.91
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone?
The IUPAC name of 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone (CID 146602419) is 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone.
What is the SMILES notation for 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone?
The canonical SMILES for 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone is COc1cccc(C(=O)N2CC3CCC2CNC3)n1.
What is the InChIKey of 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone?
The InChIKey is JNKDHSRQBANXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-13-4-2-3-12(16-13)14(18)17-9-10-5-6-11(17)8-15-7-10/h2-4,10-11,15H,5-9H2,1H3.
What are the key properties of 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone?
3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone has a molecular weight of 261.32 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diazabicyclo[3.2.2]nonan-6-yl-(6-methoxy-2-pyridinyl)methanone is sourced from PubChem (CID 146602419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).