2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide

C15H13F3N2O2 — CID 15587573

IUPAC2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1nc(-c2ccccc2)cc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C15H13F3N2O2/c1-2-22-14-12(13(19)21)10(15(16,17)18)8-11(20-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,19,21)
InChIKeyXPJVHKXHIILZBU-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.27
Rot. Bonds4

About 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide

2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 15587573) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID15587573
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1nc(-c2ccccc2)cc(C(F)(F)F)c1C(N)=O
InChIInChI=1S/C15H13F3N2O2/c1-2-22-14-12(13(19)21)10(15(16,17)18)8-11(20-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,19,21)
InChIKeyXPJVHKXHIILZBU-UHFFFAOYSA-N
XLogP3.27
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide (CID 15587573) is 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide is CCOc1nc(-c2ccccc2)cc(C(F)(F)F)c1C(N)=O.
What is the InChIKey of 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is XPJVHKXHIILZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-2-22-14-12(13(19)21)10(15(16,17)18)8-11(20-14)9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H2,19,21).
What are the key properties of 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide?
2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-phenyl-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 15587573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).