N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

C20H16F3N3O2 — CID 52947191

IUPACN-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H16F3N3O2/c1-13-4-2-3-5-15(13)10-25-19(27)18-12-24-11-17(26-18)14-6-8-16(9-7-14)28-20(21,22)23/h2-9,11-12H,10H2,1H3,(H,25,27)
InChIKeyFPNJKKHDVWOLJA-UHFFFAOYSA-N
MW387.36 g/mol
LogP4.28
Rot. Bonds5

About N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide

N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (PubChem CID 52947191) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
PubChem CID52947191
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC NameN-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide
SMILESCc1ccccc1CNC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C20H16F3N3O2/c1-13-4-2-3-5-15(13)10-25-19(27)18-12-24-11-17(26-18)14-6-8-16(9-7-14)28-20(21,22)23/h2-9,11-12H,10H2,1H3,(H,25,27)
InChIKeyFPNJKKHDVWOLJA-UHFFFAOYSA-N
XLogP4.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide (CID 52947191) is N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is Cc1ccccc1CNC(=O)c1cncc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
The InChIKey is FPNJKKHDVWOLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-13-4-2-3-5-15(13)10-25-19(27)18-12-24-11-17(26-18)14-6-8-16(9-7-14)28-20(21,22)23/h2-9,11-12H,10H2,1H3,(H,25,27).
What are the key properties of N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide?
N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide has a molecular weight of 387.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 52947191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).