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

C12H23N3O2 — CID 176997970

IUPACethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide
SMILESCC.CC.CNC(=O)c1nc(OC)cnc1C
InChIInChI=1S/C8H11N3O2.2C2H6/c1-5-7(8(12)9-2)11-6(13-3)4-10-5;2*1-2/h4H,1-3H3,(H,9,12);2*1-2H3
InChIKeyXPRCAOHQNHNTDD-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.21
Rot. Bonds2

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

ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide (PubChem CID 176997970) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Nameethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide
PubChem CID176997970
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nameethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide
SMILESCC.CC.CNC(=O)c1nc(OC)cnc1C
InChIInChI=1S/C8H11N3O2.2C2H6/c1-5-7(8(12)9-2)11-6(13-3)4-10-5;2*1-2/h4H,1-3H3,(H,9,12);2*1-2H3
InChIKeyXPRCAOHQNHNTDD-UHFFFAOYSA-N
XLogP2.21
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide?
The IUPAC name of ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide (CID 176997970) is ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide?
The canonical SMILES for ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide is CC.CC.CNC(=O)c1nc(OC)cnc1C.
What is the InChIKey of ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide?
The InChIKey is XPRCAOHQNHNTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.2C2H6/c1-5-7(8(12)9-2)11-6(13-3)4-10-5;2*1-2/h4H,1-3H3,(H,9,12);2*1-2H3.
What are the key properties of ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide?
ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide has a molecular weight of 241.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methoxy-N,3-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 176997970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).