5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

C13H10F3N3O2 — CID 1448495

IUPAC5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H10F3N3O2/c1-8-6-18-11(7-17-8)12(20)19-9-2-4-10(5-3-9)21-13(14,15)16/h2-7H,1H3,(H,19,20)
InChIKeyMGKVXCKIRPQZPU-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.94
Rot. Bonds3

About 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 1448495) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID1448495
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C13H10F3N3O2/c1-8-6-18-11(7-17-8)12(20)19-9-2-4-10(5-3-9)21-13(14,15)16/h2-7H,1H3,(H,19,20)
InChIKeyMGKVXCKIRPQZPU-UHFFFAOYSA-N
XLogP2.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 1448495) is 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is MGKVXCKIRPQZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-8-6-18-11(7-17-8)12(20)19-9-2-4-10(5-3-9)21-13(14,15)16/h2-7H,1H3,(H,19,20).
What are the key properties of 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 1448495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).