6-methoxy-N,3-dimethylpyrazine-2-carboxamide

C8H11N3O2 — CID 176997971

IUPAC6-methoxy-N,3-dimethylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(OC)cnc1C
InChIInChI=1S/C8H11N3O2/c1-5-7(8(12)9-2)11-6(13-3)4-10-5/h4H,1-3H3,(H,9,12)
InChIKeyHNBWKJVGWIKCOA-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.15
Rot. Bonds2

About 6-methoxy-N,3-dimethylpyrazine-2-carboxamide

6-methoxy-N,3-dimethylpyrazine-2-carboxamide (PubChem CID 176997971) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-methoxy-N,3-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-methoxy-N,3-dimethylpyrazine-2-carboxamide
PubChem CID176997971
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name6-methoxy-N,3-dimethylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(OC)cnc1C
InChIInChI=1S/C8H11N3O2/c1-5-7(8(12)9-2)11-6(13-3)4-10-5/h4H,1-3H3,(H,9,12)
InChIKeyHNBWKJVGWIKCOA-UHFFFAOYSA-N
XLogP0.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N,3-dimethylpyrazine-2-carboxamide?
The IUPAC name of 6-methoxy-N,3-dimethylpyrazine-2-carboxamide (CID 176997971) is 6-methoxy-N,3-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-methoxy-N,3-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 6-methoxy-N,3-dimethylpyrazine-2-carboxamide is CNC(=O)c1nc(OC)cnc1C.
What is the InChIKey of 6-methoxy-N,3-dimethylpyrazine-2-carboxamide?
The InChIKey is HNBWKJVGWIKCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-5-7(8(12)9-2)11-6(13-3)4-10-5/h4H,1-3H3,(H,9,12).
What are the key properties of 6-methoxy-N,3-dimethylpyrazine-2-carboxamide?
6-methoxy-N,3-dimethylpyrazine-2-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,3-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 176997971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).