1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide

C15H19F3N2O3 — CID 178166144

IUPAC1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC2CC(C(F)(F)F)C2)ccc1=O
InChIInChI=1S/C15H19F3N2O3/c1-2-23-6-5-20-9-10(3-4-13(20)21)14(22)19-12-7-11(8-12)15(16,17)18/h3-4,9,11-12H,2,5-8H2,1H3,(H,19,22)
InChIKeyMCDITAWJFHWWCZ-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.96
Rot. Bonds6

About 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide

1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide (PubChem CID 178166144) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide
PubChem CID178166144
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC2CC(C(F)(F)F)C2)ccc1=O
InChIInChI=1S/C15H19F3N2O3/c1-2-23-6-5-20-9-10(3-4-13(20)21)14(22)19-12-7-11(8-12)15(16,17)18/h3-4,9,11-12H,2,5-8H2,1H3,(H,19,22)
InChIKeyMCDITAWJFHWWCZ-UHFFFAOYSA-N
XLogP1.96
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide (CID 178166144) is 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide is CCOCCn1cc(C(=O)NC2CC(C(F)(F)F)C2)ccc1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide?
The InChIKey is MCDITAWJFHWWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-2-23-6-5-20-9-10(3-4-13(20)21)14(22)19-12-7-11(8-12)15(16,17)18/h3-4,9,11-12H,2,5-8H2,1H3,(H,19,22).
What are the key properties of 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide?
1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 178166144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).