ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate

C17H21F3N2O4 — CID 55967425

IUPACethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)Cn2cccc(C(F)(F)F)c2=O)CCCCC1
InChIInChI=1S/C17H21F3N2O4/c1-2-26-15(25)16(8-4-3-5-9-16)21-13(23)11-22-10-6-7-12(14(22)24)17(18,19)20/h6-7,10H,2-5,8-9,11H2,1H3,(H,21,23)
InChIKeyQRPGBWFKWQOFLP-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.25
Rot. Bonds5

About ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate

ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 55967425) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate
PubChem CID55967425
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC Nameethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)Cn2cccc(C(F)(F)F)c2=O)CCCCC1
InChIInChI=1S/C17H21F3N2O4/c1-2-26-15(25)16(8-4-3-5-9-16)21-13(23)11-22-10-6-7-12(14(22)24)17(18,19)20/h6-7,10H,2-5,8-9,11H2,1H3,(H,21,23)
InChIKeyQRPGBWFKWQOFLP-UHFFFAOYSA-N
XLogP2.25
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

Methyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate
CID 32982819
1-[[2-[2-Oxo-3-(trifluoromethyl)pyridin-1-yl]acetyl]amino]cyclohexane-1-carboxylic acid
CID 71942702
Ethyl 3-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 72118451
Methyl 2-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 86982612
ethyl (2S,3R)-3-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 95782340
ethyl (2S,3S)-3-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 95782341
ethyl (2R,3R)-3-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 95782342
ethyl (2R,3S)-3-methyl-2-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]pentanoate
CID 95782343
Methyl 1-[[2-(3-methyl-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
CID 71845332
methyl 1-[(2-oxo-1H-pyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 57672828
Methyl 1-[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]cyclohexane-1-carboxylate
CID 47028195
Ethyl 2-methyl-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]octanoate
CID 53586783

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate (CID 55967425) is ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1(NC(=O)Cn2cccc(C(F)(F)F)c2=O)CCCCC1.
What is the InChIKey of ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is QRPGBWFKWQOFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c1-2-26-15(25)16(8-4-3-5-9-16)21-13(23)11-22-10-6-7-12(14(22)24)17(18,19)20/h6-7,10H,2-5,8-9,11H2,1H3,(H,21,23).
What are the key properties of ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate?
ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 374.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55967425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).