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

C16H21F3N2O3 — CID 178166260

IUPAC1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC2CC(CC(F)(F)F)C2)ccc1=O
InChIInChI=1S/C16H21F3N2O3/c1-2-24-6-5-21-10-12(3-4-14(21)22)15(23)20-13-7-11(8-13)9-16(17,18)19/h3-4,10-11,13H,2,5-9H2,1H3,(H,20,23)
InChIKeyLDVNCLYPNBWSCN-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.35
Rot. Bonds7

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

1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide (PubChem CID 178166260) has the molecular formula C16H21F3N2O3 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide
PubChem CID178166260
Molecular FormulaC16H21F3N2O3
Molecular Weight346.35 g/mol
Exact Mass346.15
IUPAC Name1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC2CC(CC(F)(F)F)C2)ccc1=O
InChIInChI=1S/C16H21F3N2O3/c1-2-24-6-5-21-10-12(3-4-14(21)22)15(23)20-13-7-11(8-13)9-16(17,18)19/h3-4,10-11,13H,2,5-9H2,1H3,(H,20,23)
InChIKeyLDVNCLYPNBWSCN-UHFFFAOYSA-N
XLogP2.35
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.35
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

2-(cyclooct-4-en-1-ylmethyl)-3,9-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123470707
2-(cyclohex-3-en-1-ylmethyl)-N-[2-(1,1-difluoropropoxy)ethyl]-6-methylisoquinoline-7-carboxamide
CID 123863199
N-[2-(2,2-difluoropent-3-enoxy)ethyl]-3,9-dimethyl-2-[[1-(4-methylcyclohexa-1,5-diene-1-carbonyl)piperidin-4-yl]methyl]-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123938974
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(trifluoromethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747277
(3E)-2-ethyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747390
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747424
(3Z)-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747832
1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide
CID 178166144
1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide
CID 178166145
1-(2-Ethoxyethyl)-6-oxopyridine-3-carboxamide;trifluoromethylcyclobutane
CID 178166150
1-(2-Ethoxyethyl)-6-oxopyridine-3-carboxamide;2,2,2-trifluoroethylcyclobutane
CID 178166301
N-[1-(methoxymethyl)cyclobutyl]-N-methyl-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 138024253

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide (CID 178166260) is 1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide is CCOCCn1cc(C(=O)NC2CC(CC(F)(F)F)C2)ccc1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide?
The InChIKey is LDVNCLYPNBWSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3/c1-2-24-6-5-21-10-12(3-4-14(21)22)15(23)20-13-7-11(8-13)9-16(17,18)19/h3-4,10-11,13H,2,5-9H2,1H3,(H,20,23).
What are the key properties of 1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide?
1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 2.35, 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-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide is sourced from PubChem (CID 178166260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).