N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide

C15H19F3N2O2 — CID 154789749

IUPACN-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccncc2C(F)(F)F)C(C)(C)O1
InChIInChI=1S/C15H19F3N2O2/c1-13(2)7-11(14(3,4)22-13)20-12(21)9-5-6-19-8-10(9)15(16,17)18/h5-6,8,11H,7H2,1-4H3,(H,20,21)
InChIKeyAPYQXOFGEDYYMX-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.18
Rot. Bonds2

About N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide

N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 154789749) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID154789749
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCC1(C)CC(NC(=O)c2ccncc2C(F)(F)F)C(C)(C)O1
InChIInChI=1S/C15H19F3N2O2/c1-13(2)7-11(14(3,4)22-13)20-12(21)9-5-6-19-8-10(9)15(16,17)18/h5-6,8,11H,7H2,1-4H3,(H,20,21)
InChIKeyAPYQXOFGEDYYMX-UHFFFAOYSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide (CID 154789749) is N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide is CC1(C)CC(NC(=O)c2ccncc2C(F)(F)F)C(C)(C)O1.
What is the InChIKey of N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is APYQXOFGEDYYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-13(2)7-11(14(3,4)22-13)20-12(21)9-5-6-19-8-10(9)15(16,17)18/h5-6,8,11H,7H2,1-4H3,(H,20,21).
What are the key properties of N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide?
N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,5,5-tetramethyloxolan-3-yl)-3-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 154789749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).