2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C15H18F3N3 — CID 78966118

IUPAC2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCC(CNc2nc(C(F)(F)F)ccc2C#N)CC1
InChIInChI=1S/C15H18F3N3/c1-10-2-4-11(5-3-10)9-20-14-12(8-19)6-7-13(21-14)15(16,17)18/h6-7,10-11H,2-5,9H2,1H3,(H,20,21)
InChIKeySWNBMCRBXORPLX-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.21
Rot. Bonds3

About 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966118) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966118
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCC(CNc2nc(C(F)(F)F)ccc2C#N)CC1
InChIInChI=1S/C15H18F3N3/c1-10-2-4-11(5-3-10)9-20-14-12(8-19)6-7-13(21-14)15(16,17)18/h6-7,10-11H,2-5,9H2,1H3,(H,20,21)
InChIKeySWNBMCRBXORPLX-UHFFFAOYSA-N
XLogP4.21
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106130022
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
2-(oxolan-2-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966425
2-[(1-ethylpyrrolidin-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965964
2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966229
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966966
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-[(4-methoxy-2,2-dimethylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104624076
N-[(4-methylcyclohexyl)methyl]-6-(trifluoromethyl)pyridin-3-amine
CID 70919588
2-(cyclopropylmethoxy)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 58873515
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966118) is 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CC1CCC(CNc2nc(C(F)(F)F)ccc2C#N)CC1.
What is the InChIKey of 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is SWNBMCRBXORPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-10-2-4-11(5-3-10)9-20-14-12(8-19)6-7-13(21-14)15(16,17)18/h6-7,10-11H,2-5,9H2,1H3,(H,20,21).
What are the key properties of 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 297.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).