5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide

C16H11F3N4O2 — CID 109279633

IUPAC5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C16H11F3N4O2/c17-10-3-4-11(15(19)14(10)18)23-16(24)12-7-22-13(8-20-12)21-6-9-2-1-5-25-9/h1-5,7-8H,6H2,(H,21,22)(H,23,24)
InChIKeyHYJNOIQETRYRKT-UHFFFAOYSA-N
MW348.28 g/mol
LogP3.35
Rot. Bonds5

About 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide

5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (PubChem CID 109279633) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
PubChem CID109279633
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC Name5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C16H11F3N4O2/c17-10-3-4-11(15(19)14(10)18)23-16(24)12-7-22-13(8-20-12)21-6-9-2-1-5-25-9/h1-5,7-8H,6H2,(H,21,22)(H,23,24)
InChIKeyHYJNOIQETRYRKT-UHFFFAOYSA-N
XLogP3.35
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279581
N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279476
N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279517
2,3,4-trifluoro-N-[6-(furan-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113011352
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
5-(2-methoxyethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109276018
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109279576
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550
5-(pentylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109288225
1-N-(furan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109046656
methyl 3-[[5-(furan-2-ylmethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109279589
N-cyclopentyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109273898

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide (CID 109279633) is 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cnc(NCc2ccco2)cn1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
The InChIKey is HYJNOIQETRYRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c17-10-3-4-11(15(19)14(10)18)23-16(24)12-7-22-13(8-20-12)21-6-9-2-1-5-25-9/h1-5,7-8H,6H2,(H,21,22)(H,23,24).
What are the key properties of 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide?
5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide has a molecular weight of 348.28 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109279633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).