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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Related Compounds

2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
2-(Piperazin-1-yl)pyridine-3-carbonitrile
CID 2737203
N-cyclohexyl-4-methylpyridin-2-amine
CID 2366458
6-(1,4-Diazepan-1-yl)nicotinonitrile
CID 2747101
3-Pyridinecarbonitrile, 6-(4-methyl-1-piperazinyl)-
CID 3042935
Thiourea, N-(5-cyano-2-pyridinyl)-N'-(2-(1-methyl-1H-pyrrol-2-yl)ethyl)-
CID 3001136
(2S,5R)-5-ethynyl-1-(N-(4-methyl-1-(5-cyano-pyridin-2-yl)piperidin-4-yl)glycyl)pyrrolidine-2-carbonitrile
CID 16090844
5-(1-Methylpyrrolidin-2-yl)pyridin-2-amine
CID 3110789
2-[1-[(4-Methyl-2-pyridinyl)amino]ethylidene]propanedinitrile
CID 3598085
3-(4-Fluorophenyl)-1-methyl-5-piperazin-1-yl-4-pyridin-4-ylpyrrole-2-carbonitrile
CID 10021487
(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-4-carbonitrile
CID 44409124
Cyclohexyl-(3-methyl-pyridin-2-yl)-amine
CID 2366446

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).