2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H15F3N4 — CID 79875711

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1CC2CCC(C1)N2
InChIInChI=1S/C14H15F3N4/c15-14(16,17)12-4-1-8(7-18)13(21-12)20-11-5-9-2-3-10(6-11)19-9/h1,4,9-11,19H,2-3,5-6H2,(H,20,21)
InChIKeyDLFKKKPWWTZUPD-UHFFFAOYSA-N
MW296.30 g/mol
LogP2.67
Rot. Bonds2

About 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 79875711) has the molecular formula C14H15F3N4 and a molecular weight of 296.30 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID79875711
Molecular FormulaC14H15F3N4
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)(F)F)nc1NC1CC2CCC(C1)N2
InChIInChI=1S/C14H15F3N4/c15-14(16,17)12-4-1-8(7-18)13(21-12)20-11-5-9-2-3-10(6-11)19-9/h1,4,9-11,19H,2-3,5-6H2,(H,20,21)
InChIKeyDLFKKKPWWTZUPD-UHFFFAOYSA-N
XLogP2.67
TPSA60.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115880992
2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966229
2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 97078536
2-[[(2S,3S)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 97078537
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile
CID 63672782
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile
CID 106213558
2-[(2-amino-1-cyclopropylethyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79876815
2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966118

Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 79875711) is 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1ccc(C(F)(F)F)nc1NC1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is DLFKKKPWWTZUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4/c15-14(16,17)12-4-1-8(7-18)13(21-12)20-11-5-9-2-3-10(6-11)19-9/h1,4,9-11,19H,2-3,5-6H2,(H,20,21).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 296.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 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-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 79875711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).