N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C15H13F3N2O2 — CID 2726853

IUPACN-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O2/c1-2-22-11-5-3-4-10(8-11)20-14(21)12-9-19-7-6-13(12)15(16,17)18/h3-9H,2H2,1H3,(H,20,21)
InChIKeyIYOYVCJQXVVEMY-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.75
Rot. Bonds4

About N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726853) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726853
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC NameN-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCCOc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O2/c1-2-22-11-5-3-4-10(8-11)20-14(21)12-9-19-7-6-13(12)15(16,17)18/h3-9H,2H2,1H3,(H,20,21)
InChIKeyIYOYVCJQXVVEMY-UHFFFAOYSA-N
XLogP3.75
TPSA51.22 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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726853) is N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide is CCOc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is IYOYVCJQXVVEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-2-22-11-5-3-4-10(8-11)20-14(21)12-9-19-7-6-13(12)15(16,17)18/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).