2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H16F3N3O — CID 115563847

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1(C)CC(Nc2nc(C(F)(F)F)ccc2C#N)CCO1
InChIInChI=1S/C14H16F3N3O/c1-13(2)7-10(5-6-21-13)19-12-9(8-18)3-4-11(20-12)14(15,16)17/h3-4,10H,5-7H2,1-2H3,(H,19,20)
InChIKeyKBZAOSXFYPELJE-UHFFFAOYSA-N
MW299.30 g/mol
LogP3.34
Rot. Bonds2

About 2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile

2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 115563847) has the molecular formula C14H16F3N3O and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID115563847
Molecular FormulaC14H16F3N3O
Molecular Weight299.30 g/mol
Exact Mass299.12
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCC1(C)CC(Nc2nc(C(F)(F)F)ccc2C#N)CCO1
InChIInChI=1S/C14H16F3N3O/c1-13(2)7-10(5-6-21-13)19-12-9(8-18)3-4-11(20-12)14(15,16)17/h3-4,10H,5-7H2,1-2H3,(H,19,20)
InChIKeyKBZAOSXFYPELJE-UHFFFAOYSA-N
XLogP3.34
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 115563847) is 2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is CC1(C)CC(Nc2nc(C(F)(F)F)ccc2C#N)CCO1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is KBZAOSXFYPELJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O/c1-13(2)7-10(5-6-21-13)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-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile?
2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 299.30 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 115563847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).