4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile

C14H18N4 — CID 63883247

IUPAC4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNC2CN3CCC2CC3)ccn1
InChIInChI=1S/C14H18N4/c15-8-13-7-11(1-4-16-13)9-17-14-10-18-5-2-12(14)3-6-18/h1,4,7,12,14,17H,2-3,5-6,9-10H2
InChIKeyOXIAEEDHYBTDKY-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.14
Rot. Bonds3

About 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile

4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile (PubChem CID 63883247) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile
PubChem CID63883247
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNC2CN3CCC2CC3)ccn1
InChIInChI=1S/C14H18N4/c15-8-13-7-11(1-4-16-13)9-17-14-10-18-5-2-12(14)3-6-18/h1,4,7,12,14,17H,2-3,5-6,9-10H2
InChIKeyOXIAEEDHYBTDKY-UHFFFAOYSA-N
XLogP1.14
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile (CID 63883247) is 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNC2CN3CCC2CC3)ccn1.
What is the InChIKey of 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile?
The InChIKey is OXIAEEDHYBTDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-8-13-7-11(1-4-16-13)9-17-14-10-18-5-2-12(14)3-6-18/h1,4,7,12,14,17H,2-3,5-6,9-10H2.
What are the key properties of 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile?
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63883247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).