2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

C13H16F3N3O2 — CID 79874724

IUPAC2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC(C)O1
InChIInChI=1S/C13H16F3N3O2/c1-7-5-19(6-8(2)21-7)12-9(11(17)20)3-4-10(18-12)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3,(H2,17,20)
InChIKeyLGRBDJXAHNBUMW-UHFFFAOYSA-N
MW303.28 g/mol
LogP1.81
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide

2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 79874724) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID79874724
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC(C)O1
InChIInChI=1S/C13H16F3N3O2/c1-7-5-19(6-8(2)21-7)12-9(11(17)20)3-4-10(18-12)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3,(H2,17,20)
InChIKeyLGRBDJXAHNBUMW-UHFFFAOYSA-N
XLogP1.81
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide (CID 79874724) is 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is CC1CN(c2nc(C(F)(F)F)ccc2C(N)=O)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is LGRBDJXAHNBUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c1-7-5-19(6-8(2)21-7)12-9(11(17)20)3-4-10(18-12)13(14,15)16/h3-4,7-8H,5-6H2,1-2H3,(H2,17,20).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide?
2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 79874724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).