2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile

C12H13N3 — CID 117045417

IUPAC2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC2CC2C1
InChIInChI=1S/C12H13N3/c13-7-10-2-1-4-14-12(10)15-5-3-9-6-11(9)8-15/h1-2,4,9,11H,3,5-6,8H2
InChIKeyUPSIHUXDRVAIAR-UHFFFAOYSA-N
MW199.26 g/mol
LogP1.80
Rot. Bonds1

About 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile

2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile (PubChem CID 117045417) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
PubChem CID117045417
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCC2CC2C1
InChIInChI=1S/C12H13N3/c13-7-10-2-1-4-14-12(10)15-5-3-9-6-11(9)8-15/h1-2,4,9,11H,3,5-6,8H2
InChIKeyUPSIHUXDRVAIAR-UHFFFAOYSA-N
XLogP1.80
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-aminopiperidin-1-yl)pyridine-3-carbonitrile;trihydrochloride
CID 163329752
2-[4-(oxolan-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 166209187
2-(6-cyclobutyl-1,4-oxazepan-4-yl)pyridine-3-carbonitrile
CID 166225727
2-[(3S)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 58826334
2-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 55210322
[2-(3-azabicyclo[4.1.0]heptan-3-yl)-3-pyridinyl]methanamine
CID 117045416
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 133279853
2-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 129476892
2-[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 56877761
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
2-thiomorpholin-4-ylpyridine-3-carbonitrile
CID 28787469
2-[3-(methoxymethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 113235312

Frequently Asked Questions

What is the IUPAC name of 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile (CID 117045417) is 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile is N#Cc1cccnc1N1CCC2CC2C1.
What is the InChIKey of 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile?
The InChIKey is UPSIHUXDRVAIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c13-7-10-2-1-4-14-12(10)15-5-3-9-6-11(9)8-15/h1-2,4,9,11H,3,5-6,8H2.
What are the key properties of 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile?
2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile has a molecular weight of 199.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azabicyclo[4.1.0]heptan-3-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 117045417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).