N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide

C11H13F2N3O2 — CID 123560137

IUPACN-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide
SMILESCC=C(C)NC(=O)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C11H13F2N3O2/c1-3-7(2)16-11(17)8-4-15-10(5-14-8)18-6-9(12)13/h3-5,9H,6H2,1-2H3,(H,16,17)
InChIKeyRQGOGCPDUPPYBD-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.77
Rot. Bonds5

About N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide

N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide (PubChem CID 123560137) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide
PubChem CID123560137
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC NameN-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide
SMILESCC=C(C)NC(=O)c1cnc(OCC(F)F)cn1
InChIInChI=1S/C11H13F2N3O2/c1-3-7(2)16-11(17)8-4-15-10(5-14-8)18-6-9(12)13/h3-5,9H,6H2,1-2H3,(H,16,17)
InChIKeyRQGOGCPDUPPYBD-UHFFFAOYSA-N
XLogP1.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide (CID 123560137) is N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide is CC=C(C)NC(=O)c1cnc(OCC(F)F)cn1.
What is the InChIKey of N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is RQGOGCPDUPPYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-3-7(2)16-11(17)8-4-15-10(5-14-8)18-6-9(12)13/h3-5,9H,6H2,1-2H3,(H,16,17).
What are the key properties of N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide?
N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 257.24 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 123560137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).