1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane

C15H21F3N2O3 — CID 178166150

IUPAC1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane
SMILESCCOCCn1cc(C(N)=O)ccc1=O.FC(F)(F)C1CCC1
InChIInChI=1S/C10H14N2O3.C5H7F3/c1-2-15-6-5-12-7-8(10(11)14)3-4-9(12)13;6-5(7,8)4-2-1-3-4/h3-4,7H,2,5-6H2,1H3,(H2,11,14);4H,1-3H2
InChIKeyLSTKMKUYGCIVBN-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.33
Rot. Bonds5

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

1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane (PubChem CID 178166150) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane
PubChem CID178166150
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane
SMILESCCOCCn1cc(C(N)=O)ccc1=O.FC(F)(F)C1CCC1
InChIInChI=1S/C10H14N2O3.C5H7F3/c1-2-15-6-5-12-7-8(10(11)14)3-4-9(12)13;6-5(7,8)4-2-1-3-4/h3-4,7H,2,5-6H2,1H3,(H2,11,14);4H,1-3H2
InChIKeyLSTKMKUYGCIVBN-UHFFFAOYSA-N
XLogP2.33
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane?
The IUPAC name of 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane (CID 178166150) is 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane?
The canonical SMILES for 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane is CCOCCn1cc(C(N)=O)ccc1=O.FC(F)(F)C1CCC1.
What is the InChIKey of 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane?
The InChIKey is LSTKMKUYGCIVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3.C5H7F3/c1-2-15-6-5-12-7-8(10(11)14)3-4-9(12)13;6-5(7,8)4-2-1-3-4/h3-4,7H,2,5-6H2,1H3,(H2,11,14);4H,1-3H2.
What are the key properties of 1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane?
1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane has a molecular weight of 334.34 g/mol, XLogP of 2.33, 5 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;trifluoromethylcyclobutane is sourced from PubChem (CID 178166150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).