2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H11F3N4 — CID 78965983

IUPAC2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(Nc1nc(C(F)(F)F)ccc1C#N)c1ccccn1
InChIInChI=1S/C14H11F3N4/c1-9(11-4-2-3-7-19-11)20-13-10(8-18)5-6-12(21-13)14(15,16)17/h2-7,9H,1H3,(H,20,21)
InChIKeyOBMFRFKNLUCEMI-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.54
Rot. Bonds3

About 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 78965983) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID78965983
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(Nc1nc(C(F)(F)F)ccc1C#N)c1ccccn1
InChIInChI=1S/C14H11F3N4/c1-9(11-4-2-3-7-19-11)20-13-10(8-18)5-6-12(21-13)14(15,16)17/h2-7,9H,1H3,(H,20,21)
InChIKeyOBMFRFKNLUCEMI-UHFFFAOYSA-N
XLogP3.54
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-4-(1-pyridin-2-ylethylamino)benzonitrile
CID 113295538
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
(2R)-2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 120964143
N-(1-pyridin-2-ylethyl)-4-(trifluoromethyl)aniline
CID 43192853
2-[[(1R)-2-hydroxy-1-(2-methoxyphenyl)ethyl]amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 95628901
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
5-fluoro-6-[(3-propan-2-yloxy-1H-pyrazol-5-yl)amino]-2-[[(1S)-1-pyridin-2-ylethyl]amino]pyridine-3-carbonitrile
CID 24779787
2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966966
[(1S)-1-pyridin-2-ylethyl]cyanamide
CID 81401683
2-cyano-N-[(1S)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 40973699
3-fluoro-5-(1-pyridin-2-ylethylamino)benzonitrile
CID 102815363

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 78965983) is 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is CC(Nc1nc(C(F)(F)F)ccc1C#N)c1ccccn1.
What is the InChIKey of 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is OBMFRFKNLUCEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-9(11-4-2-3-7-19-11)20-13-10(8-18)5-6-12(21-13)14(15,16)17/h2-7,9H,1H3,(H,20,21).
What are the key properties of 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 78965983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).