N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide

C14H12F3N3O — CID 134047362

IUPACN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cnccn1
InChIInChI=1S/C14H12F3N3O/c1-20(13(21)12-8-18-6-7-19-12)9-10-4-2-3-5-11(10)14(15,16)17/h2-8H,9H2,1H3
InChIKeyWIAOAYZOPRIDNP-UHFFFAOYSA-N
MW295.26 g/mol
LogP2.77
Rot. Bonds3

About N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide

N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 134047362) has the molecular formula C14H12F3N3O and a molecular weight of 295.26 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
PubChem CID134047362
Molecular FormulaC14H12F3N3O
Molecular Weight295.26 g/mol
Exact Mass295.09
IUPAC NameN-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide
SMILESCN(Cc1ccccc1C(F)(F)F)C(=O)c1cnccn1
InChIInChI=1S/C14H12F3N3O/c1-20(13(21)12-8-18-6-7-19-12)9-10-4-2-3-5-11(10)14(15,16)17/h2-8H,9H2,1H3
InChIKeyWIAOAYZOPRIDNP-UHFFFAOYSA-N
XLogP2.77
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide (CID 134047362) is N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide is CN(Cc1ccccc1C(F)(F)F)C(=O)c1cnccn1.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is WIAOAYZOPRIDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O/c1-20(13(21)12-8-18-6-7-19-12)9-10-4-2-3-5-11(10)14(15,16)17/h2-8H,9H2,1H3.
What are the key properties of N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide?
N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 295.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 134047362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).