2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H16F3N3 — CID 115880992

IUPAC2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1(C)CCC(Nc2nc(C(F)(F)F)ccc2C#N)C1
InChIInChI=1S/C14H16F3N3/c1-13(2)6-5-10(7-13)19-12-9(8-18)3-4-11(20-12)14(15,16)17/h3-4,10H,5-7H2,1-2H3,(H,19,20)
InChIKeyMOBLIAVDOSBWQU-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.96
Rot. Bonds2

About 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 115880992) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID115880992
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1(C)CCC(Nc2nc(C(F)(F)F)ccc2C#N)C1
InChIInChI=1S/C14H16F3N3/c1-13(2)6-5-10(7-13)19-12-9(8-18)3-4-11(20-12)14(15,16)17/h3-4,10H,5-7H2,1-2H3,(H,19,20)
InChIKeyMOBLIAVDOSBWQU-UHFFFAOYSA-N
XLogP3.96
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875711
2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966229
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
6-(trifluoromethyl)-2-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-3-carbonitrile
CID 106213558
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-[[(2S,3S)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 97078537
2-[[(2S,3R)-2-cyclopropyloxolan-3-yl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 97078536
2-chloro-4-[(3,3-dimethylcyclopentyl)amino]benzonitrile
CID 80692757
2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966118
1-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]cyclopropane-1-carboxylic acid
CID 79868930
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782

Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 115880992) is 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CC1(C)CCC(Nc2nc(C(F)(F)F)ccc2C#N)C1.
What is the InChIKey of 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is MOBLIAVDOSBWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-13(2)6-5-10(7-13)19-12-9(8-18)3-4-11(20-12)14(15,16)17/h3-4,10H,5-7H2,1-2H3,(H,19,20).
What are the key properties of 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 283.30 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-dimethylcyclopentyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 115880992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).