5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide

C15H11F3N4O — CID 167925836

IUPAC5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESN#Cc1cnc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)11-3-1-10(2-4-11)5-6-20-14(23)13-9-21-12(7-19)8-22-13/h1-4,8-9H,5-6H2,(H,20,23)
InChIKeyMWDISFIZYFARBA-UHFFFAOYSA-N
MW320.27 g/mol
LogP2.34
Rot. Bonds4

About 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide

5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 167925836) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID167925836
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
SMILESN#Cc1cnc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C15H11F3N4O/c16-15(17,18)11-3-1-10(2-4-11)5-6-20-14(23)13-9-21-12(7-19)8-22-13/h1-4,8-9H,5-6H2,(H,20,23)
InChIKeyMWDISFIZYFARBA-UHFFFAOYSA-N
XLogP2.34
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(5-chloropyrazine-2-carbonyl)amino]ethyl]benzoic acid
CID 107371437
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]pyrazine-2-carboxamide
CID 107252358
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
1,3-dimethyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31337743
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
N-pent-4-ynyl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113245115
N-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 47043769
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 26594302
1-methoxy-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 38212879
2-(2-methoxyethoxy)-6-oxo-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 137146173
1-benzyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]triazole-4-carboxamide
CID 24633183

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide (CID 167925836) is 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide is N#Cc1cnc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is MWDISFIZYFARBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-15(17,18)11-3-1-10(2-4-11)5-6-20-14(23)13-9-21-12(7-19)8-22-13/h1-4,8-9H,5-6H2,(H,20,23).
What are the key properties of 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide?
5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 320.27 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 167925836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).