N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

C18H17F3N4O2 — CID 118211267

IUPACN-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESN#CCCCCc1cnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)27-15-7-4-5-13(9-15)10-17(26)25-16-12-23-14(11-24-16)6-2-1-3-8-22/h4-5,7,9,11-12H,1-3,6,10H2,(H,24,25,26)
InChIKeyDPCCCMHYBFSNBH-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.79
Rot. Bonds8

About N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide

N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 118211267) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID118211267
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC NameN-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide
SMILESN#CCCCCc1cnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)cn1
InChIInChI=1S/C18H17F3N4O2/c19-18(20,21)27-15-7-4-5-13(9-15)10-17(26)25-16-12-23-14(11-24-16)6-2-1-3-8-22/h4-5,7,9,11-12H,1-3,6,10H2,(H,24,25,26)
InChIKeyDPCCCMHYBFSNBH-UHFFFAOYSA-N
XLogP3.79
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide (CID 118211267) is N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is N#CCCCCc1cnc(NC(=O)Cc2cccc(OC(F)(F)F)c2)cn1.
What is the InChIKey of N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is DPCCCMHYBFSNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-18(20,21)27-15-7-4-5-13(9-15)10-17(26)25-16-12-23-14(11-24-16)6-2-1-3-8-22/h4-5,7,9,11-12H,1-3,6,10H2,(H,24,25,26).
What are the key properties of N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide?
N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 378.35 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyanobutyl)pyrazin-2-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 118211267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).