2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile

C11H13N3O — CID 115022942

IUPAC2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H13N3O/c12-7-9-1-2-10(14-11(9)15)8-3-5-13-6-4-8/h1-2,8,13H,3-6H2,(H,14,15)
InChIKeyNLQLHKZBVPOOGR-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.71
Rot. Bonds1

About 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile

2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile (PubChem CID 115022942) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile
PubChem CID115022942
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CCNCC2)[nH]c1=O
InChIInChI=1S/C11H13N3O/c12-7-9-1-2-10(14-11(9)15)8-3-5-13-6-4-8/h1-2,8,13H,3-6H2,(H,14,15)
InChIKeyNLQLHKZBVPOOGR-UHFFFAOYSA-N
XLogP0.71
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-piperidin-4-ylbenzonitrile
CID 68519777
4-piperidin-4-yl-2-propan-2-ylbenzonitrile
CID 91599912
2-fluoro-5-piperidin-4-ylbenzonitrile
CID 16679511
6-(4-methylphenyl)-2-oxo-1-piperidin-4-ylpyridine-3-carbonitrile
CID 82146980
2-piperidin-4-yl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 96610524
2-ethynyl-3-piperidin-4-ylbenzonitrile
CID 89444983
5-methyl-2-pyrrolidin-3-ylbenzonitrile
CID 130002472
4-amino-6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile
CID 105436013
2-amino-5-piperidin-4-ylpyridine-3-carbonitrile;dihydrochloride
CID 121433880
2-(azepan-4-ylamino)-4-methylbenzonitrile
CID 107173825
2-oxo-5,6,7,8-tetrahydro-1H-1,7-naphthyridine-3-carbonitrile;hydrochloride
CID 91623813
4-(4-fluorophenyl)-2-pyrrolidin-3-ylbenzonitrile
CID 168965451

Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile (CID 115022942) is 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile is N#Cc1ccc(C2CCNCC2)[nH]c1=O.
What is the InChIKey of 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile?
The InChIKey is NLQLHKZBVPOOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-7-9-1-2-10(14-11(9)15)8-3-5-13-6-4-8/h1-2,8,13H,3-6H2,(H,14,15).
What are the key properties of 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile?
2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile has a molecular weight of 203.24 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-piperidin-4-yl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 115022942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).