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

C13H17N3O — CID 117050381

IUPAC2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CC2CCC1CCN2
InChIInChI=1S/C13H17N3O/c17-13(10-2-1-6-14-8-10)16-9-11-3-4-12(16)5-7-15-11/h1-2,6,8,11-12,15H,3-5,7,9H2
InChIKeyZWFVRMSQJARXFD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.05
Rot. Bonds1

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

2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone (PubChem CID 117050381) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone
PubChem CID117050381
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CC2CCC1CCN2
InChIInChI=1S/C13H17N3O/c17-13(10-2-1-6-14-8-10)16-9-11-3-4-12(16)5-7-15-11/h1-2,6,8,11-12,15H,3-5,7,9H2
InChIKeyZWFVRMSQJARXFD-UHFFFAOYSA-N
XLogP1.05
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
CID 117050693
2-(pyridine-3-carbonyl)-2-azabicyclo[2.2.2]octane-5-carboxylic acid
CID 117050546
pyridin-3-yl(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122270184
[5-(2-aminoethyl)-2-azabicyclo[2.2.2]octan-2-yl]-pyridin-3-ylmethanone
CID 117050463
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone
CID 16674981
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
[(3aR,4S,6aS)-4-(2-methylphenyl)-2-(oxan-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-pyridin-3-ylmethanone
CID 171908837
(5-methyl-2-propan-2-ylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 82244528
(2,5-diethylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 64978518
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
tert-butyl (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 10564407
pyridin-3-yl-(2,2,5-trimethylpiperazin-1-yl)methanone
CID 82243127

Frequently Asked Questions

What is the IUPAC name of 2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone?
The IUPAC name of 2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone (CID 117050381) is 2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone?
The canonical SMILES for 2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)N1CC2CCC1CCN2.
What is the InChIKey of 2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone?
The InChIKey is ZWFVRMSQJARXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(10-2-1-6-14-8-10)16-9-11-3-4-12(16)5-7-15-11/h1-2,6,8,11-12,15H,3-5,7,9H2.
What are the key properties of 2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone?
2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 117050381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).