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

C21H23F3N2O3 — CID 178166229

IUPAC1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC2CC(c3cccc(C(F)(F)F)c3)C2)ccc1=O
InChIInChI=1S/C21H23F3N2O3/c1-2-29-9-8-26-13-15(6-7-19(26)27)20(28)25-18-11-16(12-18)14-4-3-5-17(10-14)21(22,23)24/h3-7,10,13,16,18H,2,8-9,11-12H2,1H3,(H,25,28)
InChIKeyFMRSQZVLDBPKSI-UHFFFAOYSA-N
MW408.42 g/mol
LogP3.58
Rot. Bonds7

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

1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide (PubChem CID 178166229) has the molecular formula C21H23F3N2O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
PubChem CID178166229
Molecular FormulaC21H23F3N2O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC2CC(c3cccc(C(F)(F)F)c3)C2)ccc1=O
InChIInChI=1S/C21H23F3N2O3/c1-2-29-9-8-26-13-15(6-7-19(26)27)20(28)25-18-11-16(12-18)14-4-3-5-17(10-14)21(22,23)24/h3-7,10,13,16,18H,2,8-9,11-12H2,1H3,(H,25,28)
InChIKeyFMRSQZVLDBPKSI-UHFFFAOYSA-N
XLogP3.58
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 53.58
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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Related Compounds

1-(2-ethoxyethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166177
1-(2-acetamidoethyl)-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166263
1-[3-(dimethylamino)-3-oxopropyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166160
1-[2-(dimethylamino)ethyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166240
1,3-dimethyl-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 139011634
1-(2-ethoxyethyl)-5-fluoro-6-oxo-N-[(1R,2S)-2-phenylcyclopropyl]pyridine-3-carboxamide
CID 178166143
3-[[3-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamoylamino]propanoic acid
CID 122013011
N-[1-(3-chlorophenyl)propan-2-yl]-1-(2-ethoxyethyl)-6-oxopyridine-3-carboxamide
CID 178166100
4-[[3-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamoylamino]butanoic acid
CID 122013012
N-[1-(2-morpholin-4-yl-2-oxoethyl)-5-[3-(trifluoromethyl)phenyl]piperidin-3-yl]benzamide
CID 118422568
N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 139011629
5-N-cyclopropyl-3-N-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3,5-dicarboxamide
CID 126676097

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide (CID 178166229) is 1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide is CCOCCn1cc(C(=O)NC2CC(c3cccc(C(F)(F)F)c3)C2)ccc1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide?
The InChIKey is FMRSQZVLDBPKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3/c1-2-29-9-8-26-13-15(6-7-19(26)27)20(28)25-18-11-16(12-18)14-4-3-5-17(10-14)21(22,23)24/h3-7,10,13,16,18H,2,8-9,11-12H2,1H3,(H,25,28).
What are the key properties of 1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide?
1-(2-ethoxyethyl)-6-oxo-N-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide has a molecular weight of 408.42 g/mol, XLogP of 3.58, 7 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-[3-(trifluoromethyl)phenyl]cyclobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 178166229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).