ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide

C17H31F3N4O — CID 156837542

IUPACethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC.CC.CC.CC1CNC(C(=O)Nc2cncc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O.3C2H6/c1-6-2-7(16-3-6)10(19)18-9-5-15-4-8(17-9)11(12,13)14;3*1-2/h4-7,16H,2-3H2,1H3,(H,17,18,19);3*1-2H3
InChIKeyBXDGLAJEIYJITJ-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.51
Rot. Bonds2

About ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide

ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide (PubChem CID 156837542) has the molecular formula C17H31F3N4O and a molecular weight of 364.46 g/mol. Its IUPAC name is ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Nameethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
PubChem CID156837542
Molecular FormulaC17H31F3N4O
Molecular Weight364.46 g/mol
Exact Mass364.24
IUPAC Nameethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
SMILESCC.CC.CC.CC1CNC(C(=O)Nc2cncc(C(F)(F)F)n2)C1
InChIInChI=1S/C11H13F3N4O.3C2H6/c1-6-2-7(16-3-6)10(19)18-9-5-15-4-8(17-9)11(12,13)14;3*1-2/h4-7,16H,2-3H2,1H3,(H,17,18,19);3*1-2H3
InChIKeyBXDGLAJEIYJITJ-UHFFFAOYSA-N
XLogP4.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 46181425
(S)-4,4-Difluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436448
3-cyclopentyl-N-(5-methylpyrazin-2-yl)-2-[4-(trifluoromethyl)imidazol-1-yl]propanamide
CID 67313274
4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 68474196
4-fluoro-N-[[2-methoxy-4-[5-(trifluoromethyl)pyrazin-2-yl]pyrazin-1-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 118008689
N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623323
(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-4-fluoropyrrolidine-2-carboxamide
CID 126623415
(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 126643496
(2S,4R)-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 126643497
(2S,4R)-N-chloro-4-fluoro-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide
CID 140318889
(2S,4R)-N-(6-bromo-5-methylpyrazin-2-yl)-N-chloro-4-fluoropyrrolidine-2-carboxamide
CID 140318931
(4S)-4-propan-2-yl-1-[5-(trifluoromethyl)pyrazin-2-yl]imidazolidin-2-one
CID 140625308

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide (CID 156837542) is ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide is CC.CC.CC.CC1CNC(C(=O)Nc2cncc(C(F)(F)F)n2)C1.
What is the InChIKey of ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is BXDGLAJEIYJITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O.3C2H6/c1-6-2-7(16-3-6)10(19)18-9-5-15-4-8(17-9)11(12,13)14;3*1-2/h4-7,16H,2-3H2,1H3,(H,17,18,19);3*1-2H3.
What are the key properties of ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide?
ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 364.46 g/mol, XLogP of 4.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 156837542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).