11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone

C16H14N2O — CID 122270369

IUPAC11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1C2CCC1c1ccccc12
InChIInChI=1S/C16H14N2O/c19-16(11-4-3-9-17-10-11)18-14-7-8-15(18)13-6-2-1-5-12(13)14/h1-6,9-10,14-15H,7-8H2
InChIKeyQVCNIUVPJPMKDY-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.11
Rot. Bonds1

About 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone

11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone (PubChem CID 122270369) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone.

Molecular Properties

Compound Name11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone
PubChem CID122270369
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone
SMILESO=C(c1cccnc1)N1C2CCC1c1ccccc12
InChIInChI=1S/C16H14N2O/c19-16(11-4-3-9-17-10-11)18-14-7-8-15(18)13-6-2-1-5-12(13)14/h1-6,9-10,14-15H,7-8H2
InChIKeyQVCNIUVPJPMKDY-UHFFFAOYSA-N
XLogP3.11
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone with MolForge

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Related Compounds

pyridin-3-yl-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
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(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
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[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
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[(2S,3aR,8aS)-2-phenyl-3,3a,4,5,6,7,8,8a-octahydro-2H-pyrrolo[3,2-b]azepin-1-yl]-pyridin-3-ylmethanone
CID 110137413
3-azabicyclo[3.1.0]hexan-3-yl(pyridin-3-yl)methanone
CID 110476999
[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-pyridin-3-ylmethanone
CID 16674981
(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-pyridin-3-ylmethanone
CID 110288908
pyridin-3-yl-(1-pyridin-3-yl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110400545
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702

Frequently Asked Questions

What is the IUPAC name of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone?
The IUPAC name of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone (CID 122270369) is 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone.
What is the SMILES notation for 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone?
The canonical SMILES for 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone is O=C(c1cccnc1)N1C2CCC1c1ccccc12.
What is the InChIKey of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone?
The InChIKey is QVCNIUVPJPMKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16(11-4-3-9-17-10-11)18-14-7-8-15(18)13-6-2-1-5-12(13)14/h1-6,9-10,14-15H,7-8H2.
What are the key properties of 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone?
11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone has a molecular weight of 250.30 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl(pyridin-3-yl)methanone is sourced from PubChem (CID 122270369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).