4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide

C19H14F3N3O2 — CID 11545237

IUPAC4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H14F3N3O2/c1-25-10-15(17(23)26)24-16(18(25)27)12-6-4-5-11(9-12)13-7-2-3-8-14(13)19(20,21)22/h2-10H,1H3,(H2,23,26)
InChIKeyBBSDMELJSOYPSO-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.23
Rot. Bonds3

About 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide

4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (PubChem CID 11545237) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
PubChem CID11545237
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide
SMILESCn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O
InChIInChI=1S/C19H14F3N3O2/c1-25-10-15(17(23)26)24-16(18(25)27)12-6-4-5-11(9-12)13-7-2-3-8-14(13)19(20,21)22/h2-10H,1H3,(H2,23,26)
InChIKeyBBSDMELJSOYPSO-UHFFFAOYSA-N
XLogP3.23
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide (CID 11545237) is 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is Cn1cc(C(N)=O)nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c1=O.
What is the InChIKey of 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
The InChIKey is BBSDMELJSOYPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-25-10-15(17(23)26)24-16(18(25)27)12-6-4-5-11(9-12)13-7-2-3-8-14(13)19(20,21)22/h2-10H,1H3,(H2,23,26).
What are the key properties of 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide?
4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-oxo-6-[3-[2-(trifluoromethyl)phenyl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 11545237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).