tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide

C19H22F5N4O2- — CID 162260184

IUPACtert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCC(C)(C)[NH-].CC(NC(=O)c1cnccn1)c1ccc(OC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C15H12F5N3O2.C4H10N/c1-9(23-13(24)12-8-21-6-7-22-12)10-2-4-11(5-3-10)25-15(19,20)14(16,17)18;1-4(2,3)5/h2-9H,1H3,(H,23,24);5H,1-3H3/q;-1
InChIKeyZZDIXYBCLZBIFP-UHFFFAOYSA-N
MW433.40 g/mol
LogP5.34
Rot. Bonds5

About tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide

tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide (PubChem CID 162260184) has the molecular formula C19H22F5N4O2- and a molecular weight of 433.40 g/mol. Its IUPAC name is tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Nametert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
PubChem CID162260184
Molecular FormulaC19H22F5N4O2-
Molecular Weight433.40 g/mol
Exact Mass433.17
IUPAC Nametert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
SMILESCC(C)(C)[NH-].CC(NC(=O)c1cnccn1)c1ccc(OC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C15H12F5N3O2.C4H10N/c1-9(23-13(24)12-8-21-6-7-22-12)10-2-4-11(5-3-10)25-15(19,20)14(16,17)18;1-4(2,3)5/h2-9H,1H3,(H,23,24);5H,1-3H3/q;-1
InChIKeyZZDIXYBCLZBIFP-UHFFFAOYSA-N
XLogP5.34
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide (CID 162260184) is tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide is CC(C)(C)[NH-].CC(NC(=O)c1cnccn1)c1ccc(OC(F)(F)C(F)(F)F)cc1.
What is the InChIKey of tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
The InChIKey is ZZDIXYBCLZBIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F5N3O2.C4H10N/c1-9(23-13(24)12-8-21-6-7-22-12)10-2-4-11(5-3-10)25-15(19,20)14(16,17)18;1-4(2,3)5/h2-9H,1H3,(H,23,24);5H,1-3H3/q;-1.
What are the key properties of tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide?
tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide has a molecular weight of 433.40 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;N-[1-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 162260184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).