3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide

C13H14N4O — CID 10331970

IUPAC3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C)c2)cnc1N
InChIInChI=1S/C13H14N4O/c1-8-4-3-5-9(6-8)10-7-16-12(14)11(17-10)13(18)15-2/h3-7H,1-2H3,(H2,14,16)(H,15,18)
InChIKeyOGIRMHSPHDFCLY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.39
Rot. Bonds2

About 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide

3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide (PubChem CID 10331970) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide
PubChem CID10331970
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2cccc(C)c2)cnc1N
InChIInChI=1S/C13H14N4O/c1-8-4-3-5-9(6-8)10-7-16-12(14)11(17-10)13(18)15-2/h3-7H,1-2H3,(H2,14,16)(H,15,18)
InChIKeyOGIRMHSPHDFCLY-UHFFFAOYSA-N
XLogP1.39
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide (CID 10331970) is 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide is CNC(=O)c1nc(-c2cccc(C)c2)cnc1N.
What is the InChIKey of 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide?
The InChIKey is OGIRMHSPHDFCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-4-3-5-9(6-8)10-7-16-12(14)11(17-10)13(18)15-2/h3-7H,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide?
3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-6-(3-methylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 10331970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).