5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile

C13H16N4 — CID 115487454

IUPAC5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC2CN3CCC2CC3)cn1
InChIInChI=1S/C13H16N4/c14-7-11-1-2-12(8-15-11)16-13-9-17-5-3-10(13)4-6-17/h1-2,8,10,13,16H,3-6,9H2
InChIKeyRJXNIMONSUXTED-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.46
Rot. Bonds2

About 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile

5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile (PubChem CID 115487454) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
PubChem CID115487454
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
SMILESN#Cc1ccc(NC2CN3CCC2CC3)cn1
InChIInChI=1S/C13H16N4/c14-7-11-1-2-12(8-15-11)16-13-9-17-5-3-10(13)4-6-17/h1-2,8,10,13,16H,3-6,9H2
InChIKeyRJXNIMONSUXTED-UHFFFAOYSA-N
XLogP1.46
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]pyridine-2-carbonitrile
CID 124779116
6-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
CID 64587165
5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile
CID 113321442
1-N-(1-azabicyclo[2.2.2]octan-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 43617024
5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile
CID 124863257
5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 79840147
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
(3R)-N-(4-iodophenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 28975416
N-(4-methoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121635
N-(4-ethoxyphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43121545
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 63883247
5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
CID 99848388

Frequently Asked Questions

What is the IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile?
The IUPAC name of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile (CID 115487454) is 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile?
The canonical SMILES for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile is N#Cc1ccc(NC2CN3CCC2CC3)cn1.
What is the InChIKey of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile?
The InChIKey is RJXNIMONSUXTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c14-7-11-1-2-12(8-15-11)16-13-9-17-5-3-10(13)4-6-17/h1-2,8,10,13,16H,3-6,9H2.
What are the key properties of 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile?
5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile has a molecular weight of 228.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile is sourced from PubChem (CID 115487454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).