1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane

C16H23F3N2O3 — CID 178166301

IUPAC1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane
SMILESCCOCCn1cc(C(N)=O)ccc1=O.FC(F)(F)CC1CCC1
InChIInChI=1S/C10H14N2O3.C6H9F3/c1-2-15-6-5-12-7-8(10(11)14)3-4-9(12)13;7-6(8,9)4-5-2-1-3-5/h3-4,7H,2,5-6H2,1H3,(H2,11,14);5H,1-4H2
InChIKeyLUDWJSWGMCNBNE-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.72
Rot. Bonds6

About 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane

1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane (PubChem CID 178166301) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane
PubChem CID178166301
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC Name1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane
SMILESCCOCCn1cc(C(N)=O)ccc1=O.FC(F)(F)CC1CCC1
InChIInChI=1S/C10H14N2O3.C6H9F3/c1-2-15-6-5-12-7-8(10(11)14)3-4-9(12)13;7-6(8,9)4-5-2-1-3-5/h3-4,7H,2,5-6H2,1H3,(H2,11,14);5H,1-4H2
InChIKeyLUDWJSWGMCNBNE-UHFFFAOYSA-N
XLogP2.72
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.72
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-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane?
The IUPAC name of 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane (CID 178166301) is 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane?
The canonical SMILES for 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane is CCOCCn1cc(C(N)=O)ccc1=O.FC(F)(F)CC1CCC1.
What is the InChIKey of 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane?
The InChIKey is LUDWJSWGMCNBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.C6H9F3/c1-2-15-6-5-12-7-8(10(11)14)3-4-9(12)13;7-6(8,9)4-5-2-1-3-5/h3-4,7H,2,5-6H2,1H3,(H2,11,14);5H,1-4H2.
What are the key properties of 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane?
1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane has a molecular weight of 348.37 g/mol, XLogP of 2.72, 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-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane is sourced from PubChem (CID 178166301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).