pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone

C11H12N2O — CID 141122690

IUPACpyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
SMILESO=C(c1cccnc1)C1CCC=CN1
InChIInChI=1S/C11H12N2O/c14-11(9-4-3-6-12-8-9)10-5-1-2-7-13-10/h2-4,6-8,10,13H,1,5H2
InChIKeyYFGQDEHHBMSQLL-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.53
Rot. Bonds2

About pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone

pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone (PubChem CID 141122690) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
PubChem CID141122690
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Namepyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
SMILESO=C(c1cccnc1)C1CCC=CN1
InChIInChI=1S/C11H12N2O/c14-11(9-4-3-6-12-8-9)10-5-1-2-7-13-10/h2-4,6-8,10,13H,1,5H2
InChIKeyYFGQDEHHBMSQLL-UHFFFAOYSA-N
XLogP1.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
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oxan-4-yl(pyridin-3-yl)methanone
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1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
nickel;pyridine-3-carboxylic acid
CID 174049937
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
(3-methylcyclopentyl)-pyridin-3-ylmethanone
CID 65402744
3-(pyridine-3-carbonyl)bicyclo[3.2.1]octane-2,4-dione
CID 58332847
bis(pyridine-3-carboxylate);ruthenium(2+)
CID 87535471
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CID 23619365
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CID 105081172

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone?
The IUPAC name of pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone (CID 141122690) is pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone.
What is the SMILES notation for pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone?
The canonical SMILES for pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone is O=C(c1cccnc1)C1CCC=CN1.
What is the InChIKey of pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone?
The InChIKey is YFGQDEHHBMSQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11(9-4-3-6-12-8-9)10-5-1-2-7-13-10/h2-4,6-8,10,13H,1,5H2.
What are the key properties of pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone?
pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone has a molecular weight of 188.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone is sourced from PubChem (CID 141122690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).