5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

C20H17F3N4O — CID 109280985

IUPAC5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCC(Nc1cnc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1)c1ccccc1
InChIInChI=1S/C20H17F3N4O/c1-13(14-6-3-2-4-7-14)26-18-12-24-17(11-25-18)19(28)27-16-9-5-8-15(10-16)20(21,22)23/h2-13H,1H3,(H,25,26)(H,27,28)
InChIKeyWPUPIIYRYAKOIJ-UHFFFAOYSA-N
MW386.38 g/mol
LogP4.92
Rot. Bonds5

About 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide

5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109280985) has the molecular formula C20H17F3N4O and a molecular weight of 386.38 g/mol. Its IUPAC name is 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109280985
Molecular FormulaC20H17F3N4O
Molecular Weight386.38 g/mol
Exact Mass386.14
IUPAC Name5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESCC(Nc1cnc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1)c1ccccc1
InChIInChI=1S/C20H17F3N4O/c1-13(14-6-3-2-4-7-14)26-18-12-24-17(11-25-18)19(28)27-16-9-5-8-15(10-16)20(21,22)23/h2-13H,1H3,(H,25,26)(H,27,28)
InChIKeyWPUPIIYRYAKOIJ-UHFFFAOYSA-N
XLogP4.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-anilino-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289576
methyl 3-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280992
5-hydrazinyl-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 107377456
N-(4-cyanophenyl)-5-(1-phenylethylamino)pyrazine-2-carboxamide
CID 109281016
methyl 4-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280993
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
N-(4-chlorophenyl)-5-[3-(trifluoromethyl)anilino]pyrazine-2-carboxamide
CID 109292840
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
5-anilino-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109289577
methyl 2-[[5-(1-phenylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109280991
N-(3-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156138
N-(3-acetylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271495

Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109280985) is 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is CC(Nc1cnc(C(=O)Nc2cccc(C(F)(F)F)c2)cn1)c1ccccc1.
What is the InChIKey of 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is WPUPIIYRYAKOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O/c1-13(14-6-3-2-4-7-14)26-18-12-24-17(11-25-18)19(28)27-16-9-5-8-15(10-16)20(21,22)23/h2-13H,1H3,(H,25,26)(H,27,28).
What are the key properties of 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 386.38 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109280985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).