2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile

C14H18N4 — CID 61231862

IUPAC2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile
SMILESCN(c1cc(C#N)ccn1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H18N4/c1-18(14-6-10(9-15)4-5-16-14)13-7-11-2-3-12(8-13)17-11/h4-6,11-13,17H,2-3,7-8H2,1H3
InChIKeyKOPVUZNJEFBHSJ-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.67
Rot. Bonds2

About 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile

2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile (PubChem CID 61231862) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile
PubChem CID61231862
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile
SMILESCN(c1cc(C#N)ccn1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H18N4/c1-18(14-6-10(9-15)4-5-16-14)13-7-11-2-3-12(8-13)17-11/h4-6,11-13,17H,2-3,7-8H2,1H3
InChIKeyKOPVUZNJEFBHSJ-UHFFFAOYSA-N
XLogP1.67
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile (CID 61231862) is 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile is CN(c1cc(C#N)ccn1)C1CC2CCC(C1)N2.
What is the InChIKey of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile?
The InChIKey is KOPVUZNJEFBHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-18(14-6-10(9-15)4-5-16-14)13-7-11-2-3-12(8-13)17-11/h4-6,11-13,17H,2-3,7-8H2,1H3.
What are the key properties of 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile?
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile has a molecular weight of 242.33 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 61231862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).