N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide

C8H9F2N3O2 — CID 90318433

IUPACN-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)NOCC(F)F
InChIInChI=1S/C8H9F2N3O2/c1-5-7(12-3-2-11-5)8(14)13-15-4-6(9)10/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyLNFFMHYUBDNULP-UHFFFAOYSA-N
MW217.18 g/mol
LogP0.71
Rot. Bonds4

About N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide

N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide (PubChem CID 90318433) has the molecular formula C8H9F2N3O2 and a molecular weight of 217.18 g/mol. Its IUPAC name is N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide
PubChem CID90318433
Molecular FormulaC8H9F2N3O2
Molecular Weight217.18 g/mol
Exact Mass217.07
IUPAC NameN-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide
SMILESCc1nccnc1C(=O)NOCC(F)F
InChIInChI=1S/C8H9F2N3O2/c1-5-7(12-3-2-11-5)8(14)13-15-4-6(9)10/h2-3,6H,4H2,1H3,(H,13,14)
InChIKeyLNFFMHYUBDNULP-UHFFFAOYSA-N
XLogP0.71
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide?
The IUPAC name of N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide (CID 90318433) is N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide?
The canonical SMILES for N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide is Cc1nccnc1C(=O)NOCC(F)F.
What is the InChIKey of N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide?
The InChIKey is LNFFMHYUBDNULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3O2/c1-5-7(12-3-2-11-5)8(14)13-15-4-6(9)10/h2-3,6H,4H2,1H3,(H,13,14).
What are the key properties of N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide?
N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide has a molecular weight of 217.18 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethoxy)-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 90318433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).