1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide

C18H23F3N2O3 — CID 178166145

IUPAC1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC2CC23CC(CC(F)(F)F)C3)ccc1=O
InChIInChI=1S/C18H23F3N2O3/c1-2-26-6-5-23-11-13(3-4-15(23)24)16(25)22-14-10-17(14)7-12(8-17)9-18(19,20)21/h3-4,11-12,14H,2,5-10H2,1H3,(H,22,25)
InChIKeyIGAWFRQGTGCYGB-UHFFFAOYSA-N
MW372.39 g/mol
LogP2.74
Rot. Bonds7

About 1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide

1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide (PubChem CID 178166145) has the molecular formula C18H23F3N2O3 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide
PubChem CID178166145
Molecular FormulaC18H23F3N2O3
Molecular Weight372.39 g/mol
Exact Mass372.17
IUPAC Name1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide
SMILESCCOCCn1cc(C(=O)NC2CC23CC(CC(F)(F)F)C3)ccc1=O
InChIInChI=1S/C18H23F3N2O3/c1-2-26-6-5-23-11-13(3-4-15(23)24)16(25)22-14-10-17(14)7-12(8-17)9-18(19,20)21/h3-4,11-12,14H,2,5-10H2,1H3,(H,22,25)
InChIKeyIGAWFRQGTGCYGB-UHFFFAOYSA-N
XLogP2.74
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 52.74
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
1-(2-ethoxyethyl)-6-oxo-N-[3-(trifluoromethyl)cyclobutyl]pyridine-3-carboxamide
CID 178166144
1-(2-ethoxyethyl)-6-oxo-N-[3-(2,2,2-trifluoroethyl)cyclobutyl]pyridine-3-carboxamide
CID 178166260

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide (CID 178166145) is 1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide is CCOCCn1cc(C(=O)NC2CC23CC(CC(F)(F)F)C3)ccc1=O.
What is the InChIKey of 1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide?
The InChIKey is IGAWFRQGTGCYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O3/c1-2-26-6-5-23-11-13(3-4-15(23)24)16(25)22-14-10-17(14)7-12(8-17)9-18(19,20)21/h3-4,11-12,14H,2,5-10H2,1H3,(H,22,25).
What are the key properties of 1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide?
1-(2-ethoxyethyl)-6-oxo-N-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 2.74, 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-[5-(2,2,2-trifluoroethyl)spiro[2.3]hexan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 178166145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).