2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile

C12H14N4 — CID 134430086

IUPAC2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC3(CC(N)C3)C2)c1
InChIInChI=1S/C12H14N4/c13-6-9-1-2-15-11(3-9)16-7-12(8-16)4-10(14)5-12/h1-3,10H,4-5,7-8,14H2
InChIKeyJNMCWOKSTFWEED-UHFFFAOYSA-N
MW214.27 g/mol
LogP0.88
Rot. Bonds1

About 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile

2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile (PubChem CID 134430086) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile
PubChem CID134430086
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CC3(CC(N)C3)C2)c1
InChIInChI=1S/C12H14N4/c13-6-9-1-2-15-11(3-9)16-7-12(8-16)4-10(14)5-12/h1-3,10H,4-5,7-8,14H2
InChIKeyJNMCWOKSTFWEED-UHFFFAOYSA-N
XLogP0.88
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyazetidin-1-yl)pyridine-4-carbonitrile
CID 63282526
2-(1,3-oxazolidin-3-yl)pyridine-4-carbonitrile
CID 151111745
2-[4-[(dimethylamino)methyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 54986436
2-(4,4-diethylpiperidin-1-yl)pyridine-4-carbonitrile
CID 55159492
2-(5-amino-1,3-dihydroisoindol-2-yl)pyridine-4-carbonitrile
CID 66000521
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-4-carbonitrile
CID 61242795
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)pyridine-4-carbonitrile
CID 43620425
2-[(4S)-2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 97186777
2-[4-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]piperidin-1-yl]pyridine-4-carbonitrile
CID 25011858
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-4-carbonitrile
CID 79170700
2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile?
The IUPAC name of 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile (CID 134430086) is 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile?
The canonical SMILES for 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CC3(CC(N)C3)C2)c1.
What is the InChIKey of 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile?
The InChIKey is JNMCWOKSTFWEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-6-9-1-2-15-11(3-9)16-7-12(8-16)4-10(14)5-12/h1-3,10H,4-5,7-8,14H2.
What are the key properties of 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile?
2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile has a molecular weight of 214.27 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-2-azaspiro[3.3]heptan-2-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 134430086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).