5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C19H14F4N4O — CID 109281756

IUPAC5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C19H14F4N4O/c20-13-7-5-12(6-8-13)9-25-17-11-24-16(10-26-17)18(28)27-15-4-2-1-3-14(15)19(21,22)23/h1-8,10-11H,9H2,(H,25,26)(H,27,28)
InChIKeyPAROVHCWQQYODH-UHFFFAOYSA-N
MW390.34 g/mol
LogP4.50
Rot. Bonds5

About 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109281756) has the molecular formula C19H14F4N4O and a molecular weight of 390.34 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109281756
Molecular FormulaC19H14F4N4O
Molecular Weight390.34 g/mol
Exact Mass390.11
IUPAC Name5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(NCc2ccc(F)cc2)cn1
InChIInChI=1S/C19H14F4N4O/c20-13-7-5-12(6-8-13)9-25-17-11-24-16(10-26-17)18(28)27-15-4-2-1-3-14(15)19(21,22)23/h1-8,10-11H,9H2,(H,25,26)(H,27,28)
InChIKeyPAROVHCWQQYODH-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
5-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281505
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281748
N-(2,3-dichlorophenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281781
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279581
N-(2,3-dimethylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281720
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
5-[(4-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrazine-2-carboxamide
CID 109282132
5-(2-fluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109292424
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479
N-[2-(2-fluorophenyl)ethyl]-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281677
5-[(4-fluorophenyl)methylamino]-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109281675

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109281756) is 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cnc(NCc2ccc(F)cc2)cn1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is PAROVHCWQQYODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F4N4O/c20-13-7-5-12(6-8-13)9-25-17-11-24-16(10-26-17)18(28)27-15-4-2-1-3-14(15)19(21,22)23/h1-8,10-11H,9H2,(H,25,26)(H,27,28).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 390.34 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109281756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).