5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C19H15F3N4O — CID 109279902

IUPAC5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-8-4-5-9-15(14)26-18(27)16-11-25-17(12-23-16)24-10-13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,24,25)(H,26,27)
InChIKeyNCSSDOYZVMFQQV-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.36
Rot. Bonds5

About 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109279902) has the molecular formula C19H15F3N4O and a molecular weight of 372.35 g/mol. Its IUPAC name is 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109279902
Molecular FormulaC19H15F3N4O
Molecular Weight372.35 g/mol
Exact Mass372.12
IUPAC Name5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(NCc2ccccc2)cn1
InChIInChI=1S/C19H15F3N4O/c20-19(21,22)14-8-4-5-9-15(14)26-18(27)16-11-25-17(12-23-16)24-10-13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,24,25)(H,26,27)
InChIKeyNCSSDOYZVMFQQV-UHFFFAOYSA-N
XLogP4.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
5-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281505
6-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109155532
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279581
N-benzyl-5-(benzylamino)pyrazine-2-carboxamide
CID 109279637
5-(benzylamino)-N-(2-methoxyphenyl)pyrazine-2-carboxamide
CID 109279891
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109282132
N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281939
N-(2-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283695
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109279902) is 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cnc(NCc2ccccc2)cn1.
What is the InChIKey of 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is NCSSDOYZVMFQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O/c20-19(21,22)14-8-4-5-9-15(14)26-18(27)16-11-25-17(12-23-16)24-10-13-6-2-1-3-7-13/h1-9,11-12H,10H2,(H,24,25)(H,26,27).
What are the key properties of 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109279902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).