2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide

C14H11F2N3O — CID 86794514

IUPAC2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnccn1)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O/c15-11-2-1-8(5-12(11)16)9-6-10(9)14(20)19-13-7-17-3-4-18-13/h1-5,7,9-10H,6H2,(H,18,19,20)
InChIKeyVCEOGCXIENQWPP-UHFFFAOYSA-N
MW275.26 g/mol
LogP2.50
Rot. Bonds3

About 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide

2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide (PubChem CID 86794514) has the molecular formula C14H11F2N3O and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
PubChem CID86794514
Molecular FormulaC14H11F2N3O
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1cnccn1)C1CC1c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2N3O/c15-11-2-1-8(5-12(11)16)9-6-10(9)14(20)19-13-7-17-3-4-18-13/h1-5,7,9-10H,6H2,(H,18,19,20)
InChIKeyVCEOGCXIENQWPP-UHFFFAOYSA-N
XLogP2.50
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide (CID 86794514) is 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide is O=C(Nc1cnccn1)C1CC1c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide?
The InChIKey is VCEOGCXIENQWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O/c15-11-2-1-8(5-12(11)16)9-6-10(9)14(20)19-13-7-17-3-4-18-13/h1-5,7,9-10H,6H2,(H,18,19,20).
What are the key properties of 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide?
2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide has a molecular weight of 275.26 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 86794514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).