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

C17H13F3N4O2 — CID 109279581

IUPAC5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)12-5-1-2-6-13(12)24-16(25)14-9-23-15(10-21-14)22-8-11-4-3-7-26-11/h1-7,9-10H,8H2,(H,22,23)(H,24,25)
InChIKeyWLQHUFRFOIIVMZ-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.95
Rot. Bonds5

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

5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 109279581) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
PubChem CID109279581
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1cnc(NCc2ccco2)cn1
InChIInChI=1S/C17H13F3N4O2/c18-17(19,20)12-5-1-2-6-13(12)24-16(25)14-9-23-15(10-21-14)22-8-11-4-3-7-26-11/h1-7,9-10H,8H2,(H,22,23)(H,24,25)
InChIKeyWLQHUFRFOIIVMZ-UHFFFAOYSA-N
XLogP3.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
2-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109303361
5-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281505
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
5-(furan-2-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyrazine-2-carboxamide
CID 109279633
5-(furan-2-ylmethylamino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109279576
N-tert-butyl-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279517
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109231573
N-[(4-fluorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279474
N-[(4-chlorophenyl)methyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279476
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479
5-(furan-2-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyrazine-2-carboxamide
CID 109279550

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide (CID 109279581) is 5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccccc1C(F)(F)F)c1cnc(NCc2ccco2)cn1.
What is the InChIKey of 5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is WLQHUFRFOIIVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c18-17(19,20)12-5-1-2-6-13(12)24-16(25)14-9-23-15(10-21-14)22-8-11-4-3-7-26-11/h1-7,9-10H,8H2,(H,22,23)(H,24,25).
What are the key properties of 5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide?
5-(furan-2-ylmethylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 362.31 g/mol, XLogP of 3.95, 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-(trifluoromethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109279581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).