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

C14H16F3N3 — CID 78966229

IUPAC2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCCC(Nc2nc(C(F)(F)F)ccc2C#N)C1
InChIInChI=1S/C14H16F3N3/c1-9-3-2-4-11(7-9)19-13-10(8-18)5-6-12(20-13)14(15,16)17/h5-6,9,11H,2-4,7H2,1H3,(H,19,20)
InChIKeyUHVOQTMMWWPRFK-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.96
Rot. Bonds2

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

2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78966229) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78966229
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1CCCC(Nc2nc(C(F)(F)F)ccc2C#N)C1
InChIInChI=1S/C14H16F3N3/c1-9-3-2-4-11(7-9)19-13-10(8-18)5-6-12(20-13)14(15,16)17/h5-6,9,11H,2-4,7H2,1H3,(H,19,20)
InChIKeyUHVOQTMMWWPRFK-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-Pyridinamine, 6-methyl-N-(phenylmethyl)-
CID 112445
3-Pyridinecarbonitrile, 4-(dimethylamino)-6-methyl-2-((phenylmethyl)amino)-
CID 660897
(4-Dimethylamino-benzyl)-(6-methyl-pyridin-2-yl)-amine
CID 975714
6-(Cyclohexylamino)pyridine-2-carbonitrile
CID 16108897
3-[2-(6-Amino-4-methylpyridin-2-yl)ethyl]-5-[3-(methylamino)propyl]benzonitrile
CID 134686794
2-(4-Fluoro-phenylamino)-4,6-dimethyl-nicotinonitrile
CID 706821
3-(Benzylamino)-1-propan-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 797798
4-(3-(Pentan-3-ylamino)propyl)-6-(3-(trifluoromethyl)phenyl)pyrimidine-2-carbonitrile
CID 11703527
(4R,9aR)-4-methyl-6-trifluoromethyl-1,2,3,4,9,9a-hexahydro-2,4a,5-triaza-fluorene
CID 44409097
(9R,13R)-13-methyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene-4-carbonitrile
CID 44409124
4,6-Dimethyl-2-phenylamino-nicotinonitrile
CID 750145
4,6-Dimethyl-2-[(2-methylphenyl)amino]pyridine-3-carbonitrile
CID 750147

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78966229) is 2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CC1CCCC(Nc2nc(C(F)(F)F)ccc2C#N)C1.
What is the InChIKey of 2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is UHVOQTMMWWPRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-9-3-2-4-11(7-9)19-13-10(8-18)5-6-12(20-13)14(15,16)17/h5-6,9,11H,2-4,7H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(3-methylcyclohexyl)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-methylcyclohexyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78966229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).