4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide

C18H13F3N4O — CID 71711843

IUPAC4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)13-7-5-11(6-8-13)15-16(22)24-9-14(25-15)10-1-3-12(4-2-10)17(23)26/h1-9H,(H2,22,24)(H2,23,26)
InChIKeyUBIZVPPIFUXEEB-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.51
Rot. Bonds3

About 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide

4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide (PubChem CID 71711843) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide
PubChem CID71711843
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)cc3)n2)cc1
InChIInChI=1S/C18H13F3N4O/c19-18(20,21)13-7-5-11(6-8-13)15-16(22)24-9-14(25-15)10-1-3-12(4-2-10)17(23)26/h1-9H,(H2,22,24)(H2,23,26)
InChIKeyUBIZVPPIFUXEEB-UHFFFAOYSA-N
XLogP3.51
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide (CID 71711843) is 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide is NC(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)cc3)n2)cc1.
What is the InChIKey of 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide?
The InChIKey is UBIZVPPIFUXEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-18(20,21)13-7-5-11(6-8-13)15-16(22)24-9-14(25-15)10-1-3-12(4-2-10)17(23)26/h1-9H,(H2,22,24)(H2,23,26).
What are the key properties of 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide?
4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide has a molecular weight of 358.32 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-6-[4-(trifluoromethyl)phenyl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 71711843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).