N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide

C12H7F2N3O4 — CID 166386048

IUPACN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1cccc2c1OC(F)(F)O2)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H7F2N3O4/c13-12(14)20-8-3-1-2-6(10(8)21-12)17-11(19)7-4-16-9(18)5-15-7/h1-5H,(H,16,18)(H,17,19)
InChIKeyKJCHAIZJODKOPI-UHFFFAOYSA-N
MW295.20 g/mol
LogP1.34
Rot. Bonds2

About N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide

N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 166386048) has the molecular formula C12H7F2N3O4 and a molecular weight of 295.20 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID166386048
Molecular FormulaC12H7F2N3O4
Molecular Weight295.20 g/mol
Exact Mass295.04
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide
SMILESO=C(Nc1cccc2c1OC(F)(F)O2)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H7F2N3O4/c13-12(14)20-8-3-1-2-6(10(8)21-12)17-11(19)7-4-16-9(18)5-15-7/h1-5H,(H,16,18)(H,17,19)
InChIKeyKJCHAIZJODKOPI-UHFFFAOYSA-N
XLogP1.34
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N-(2-oxo-3H-1,3-benzoxazol-7-yl)-1H-pyrazine-3-carboxamide
CID 112522745
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-2,2,2-trifluoroacetamide
CID 121234944
4-fluoro-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 60826073
4-bromo-3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]benzoic acid
CID 107812438
N-(3,5-dichloro-2-hydroxyphenyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 104625901
3-[3-[(6-oxo-1H-pyrazine-3-carbonyl)amino]phenyl]propanoic acid
CID 115339246
N-(4-bromo-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 102674338
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 81269287
(2,2-difluoro-1,3-benzodioxol-4-yl)methylcarbamic acid
CID 174208615
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 58279357
N'-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]-N-methylacetohydrazide
CID 171823645
N-(5-bromo-3-methyl-2-pyridinyl)-6-oxo-1H-pyrazine-3-carboxamide
CID 83170144

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide (CID 166386048) is N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide is O=C(Nc1cccc2c1OC(F)(F)O2)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is KJCHAIZJODKOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3O4/c13-12(14)20-8-3-1-2-6(10(8)21-12)17-11(19)7-4-16-9(18)5-15-7/h1-5H,(H,16,18)(H,17,19).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide?
N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 295.20 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-4-yl)-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 166386048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).