4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide

C24H21FN4O2 — CID 151984038

IUPAC4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(c3ccc(-c4cnc(OCCF)cn4)cc3)CCC2)cc1
InChIInChI=1S/C24H21FN4O2/c25-12-13-31-22-16-27-21(15-28-22)18-6-8-20(9-7-18)24(10-1-11-24)29-23(30)19-4-2-17(14-26)3-5-19/h2-9,15-16H,1,10-13H2,(H,29,30)
InChIKeyUDHDPRLYSVNZGQ-UHFFFAOYSA-N
MW416.46 g/mol
LogP4.17
Rot. Bonds7

About 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide

4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide (PubChem CID 151984038) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide
PubChem CID151984038
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide
SMILESN#Cc1ccc(C(=O)NC2(c3ccc(-c4cnc(OCCF)cn4)cc3)CCC2)cc1
InChIInChI=1S/C24H21FN4O2/c25-12-13-31-22-16-27-21(15-28-22)18-6-8-20(9-7-18)24(10-1-11-24)29-23(30)19-4-2-17(14-26)3-5-19/h2-9,15-16H,1,10-13H2,(H,29,30)
InChIKeyUDHDPRLYSVNZGQ-UHFFFAOYSA-N
XLogP4.17
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide?
The IUPAC name of 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide (CID 151984038) is 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide?
The canonical SMILES for 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide is N#Cc1ccc(C(=O)NC2(c3ccc(-c4cnc(OCCF)cn4)cc3)CCC2)cc1.
What is the InChIKey of 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide?
The InChIKey is UDHDPRLYSVNZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c25-12-13-31-22-16-27-21(15-28-22)18-6-8-20(9-7-18)24(10-1-11-24)29-23(30)19-4-2-17(14-26)3-5-19/h2-9,15-16H,1,10-13H2,(H,29,30).
What are the key properties of 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide?
4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide has a molecular weight of 416.46 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-[4-[5-(2-fluoroethoxy)pyrazin-2-yl]phenyl]cyclobutyl]benzamide is sourced from PubChem (CID 151984038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).