2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C17H17F3N4O — CID 133422603

IUPAC2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)(C)Oc1cc(CNc2nc(C(F)(F)F)ccc2C#N)ccn1
InChIInChI=1S/C17H17F3N4O/c1-16(2,3)25-14-8-11(6-7-22-14)10-23-15-12(9-21)4-5-13(24-15)17(18,19)20/h4-8H,10H2,1-3H3,(H,23,24)
InChIKeyLRRWHPKLSXGUBW-UHFFFAOYSA-N
MW350.34 g/mol
LogP4.16
Rot. Bonds4

About 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133422603) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133422603
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC(C)(C)Oc1cc(CNc2nc(C(F)(F)F)ccc2C#N)ccn1
InChIInChI=1S/C17H17F3N4O/c1-16(2,3)25-14-8-11(6-7-22-14)10-23-15-12(9-21)4-5-13(24-15)17(18,19)20/h4-8H,10H2,1-3H3,(H,23,24)
InChIKeyLRRWHPKLSXGUBW-UHFFFAOYSA-N
XLogP4.16
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-4-ylmethylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 71503682
6-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]pyridazine-3-carbonitrile
CID 133422561
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
6-ethyl-5-fluoro-N-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methyl]pyrimidin-4-amine
CID 133422610
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
2-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103704512
2-[(4-methoxy-2,2-dimethylbutyl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 104624076
N-[2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 78966293
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261
2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966118
2-(2-aminobutylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877084

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 133422603) is 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CC(C)(C)Oc1cc(CNc2nc(C(F)(F)F)ccc2C#N)ccn1.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is LRRWHPKLSXGUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c1-16(2,3)25-14-8-11(6-7-22-14)10-23-15-12(9-21)4-5-13(24-15)17(18,19)20/h4-8H,10H2,1-3H3,(H,23,24).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 350.34 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133422603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).