6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone

C13H16N2O — CID 117050693

IUPAC6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CC2CCCC1C2
InChIInChI=1S/C13H16N2O/c16-13(11-4-2-6-14-8-11)15-9-10-3-1-5-12(15)7-10/h2,4,6,8,10,12H,1,3,5,7,9H2
InChIKeyNVYCHSFQBPIHRL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.10
Rot. Bonds1

About 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone

6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone (PubChem CID 117050693) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
PubChem CID117050693
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1CC2CCCC1C2
InChIInChI=1S/C13H16N2O/c16-13(11-4-2-6-14-8-11)15-9-10-3-1-5-12(15)7-10/h2,4,6,8,10,12H,1,3,5,7,9H2
InChIKeyNVYCHSFQBPIHRL-UHFFFAOYSA-N
XLogP2.10
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
2-azabicyclo[2.2.1]heptan-2-yl-(5-bromo-3-pyridinyl)methanone
CID 61073633
2,6-diazabicyclo[3.2.2]nonan-6-yl(pyridin-3-yl)methanone
CID 117050381
[(1R,5S)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-pyridin-3-ylmethanone
CID 72698066
pyridin-3-yl-[(1R,5S)-6-(pyrrolidine-1-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 164643415
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178011
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 97078426
1-[3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-pyridin-3-ylethanone
CID 156603609
(1R,5S)-N-propan-2-yl-3-(pyridine-3-carbonyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 133133397

Frequently Asked Questions

What is the IUPAC name of 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone?
The IUPAC name of 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone (CID 117050693) is 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone?
The canonical SMILES for 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)N1CC2CCCC1C2.
What is the InChIKey of 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone?
The InChIKey is NVYCHSFQBPIHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13(11-4-2-6-14-8-11)15-9-10-3-1-5-12(15)7-10/h2,4,6,8,10,12H,1,3,5,7,9H2.
What are the key properties of 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone?
6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone has a molecular weight of 216.28 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azabicyclo[3.2.1]octan-6-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 117050693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).