6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide

C15H14F3N3O2 — CID 174836862

IUPAC6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O2/c1-10-6-19-8-13(21-10)14(22)20-7-11-2-4-12(5-3-11)23-9-15(16,17)18/h2-6,8H,7,9H2,1H3,(H,20,22)
InChIKeyPPVNSOYRVIHOIU-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.66
Rot. Bonds5

About 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide

6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 174836862) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID174836862
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Name6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide
SMILESCc1cncc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)n1
InChIInChI=1S/C15H14F3N3O2/c1-10-6-19-8-13(21-10)14(22)20-7-11-2-4-12(5-3-11)23-9-15(16,17)18/h2-6,8H,7,9H2,1H3,(H,20,22)
InChIKeyPPVNSOYRVIHOIU-UHFFFAOYSA-N
XLogP2.66
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]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 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide (CID 174836862) is 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide is Cc1cncc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)n1.
What is the InChIKey of 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is PPVNSOYRVIHOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-10-6-19-8-13(21-10)14(22)20-7-11-2-4-12(5-3-11)23-9-15(16,17)18/h2-6,8H,7,9H2,1H3,(H,20,22).
What are the key properties of 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide?
6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 325.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 174836862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).