4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide

C13H15F3N2O2 — CID 175806164

IUPAC4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCC1CC(C(=O)Nc2cccnc2)OC1(C)C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-8-6-10(20-12(8,2)13(14,15)16)11(19)18-9-4-3-5-17-7-9/h3-5,7-8,10H,6H2,1-2H3,(H,18,19)
InChIKeyRIEFLAJZYHBXPL-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.77
Rot. Bonds2

About 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide

4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 175806164) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID175806164
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCC1CC(C(=O)Nc2cccnc2)OC1(C)C(F)(F)F
InChIInChI=1S/C13H15F3N2O2/c1-8-6-10(20-12(8,2)13(14,15)16)11(19)18-9-4-3-5-17-7-9/h3-5,7-8,10H,6H2,1-2H3,(H,18,19)
InChIKeyRIEFLAJZYHBXPL-UHFFFAOYSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 175806164) is 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide is CC1CC(C(=O)Nc2cccnc2)OC1(C)C(F)(F)F.
What is the InChIKey of 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is RIEFLAJZYHBXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8-6-10(20-12(8,2)13(14,15)16)11(19)18-9-4-3-5-17-7-9/h3-5,7-8,10H,6H2,1-2H3,(H,18,19).
What are the key properties of 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide?
4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-pyridin-3-yl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 175806164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).