3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide

C18H16N4O — CID 52937362

IUPAC3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H16N4O/c1-12-6-5-7-13(10-12)15-11-20-17(19)16(22-15)18(23)21-14-8-3-2-4-9-14/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyJVLBMTZZNVPFEA-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.29
Rot. Bonds3

About 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide

3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 52937362) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID52937362
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1
InChIInChI=1S/C18H16N4O/c1-12-6-5-7-13(10-12)15-11-20-17(19)16(22-15)18(23)21-14-8-3-2-4-9-14/h2-11H,1H3,(H2,19,20)(H,21,23)
InChIKeyJVLBMTZZNVPFEA-UHFFFAOYSA-N
XLogP3.29
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide (CID 52937362) is 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide is Cc1cccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)c1.
What is the InChIKey of 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is JVLBMTZZNVPFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-6-5-7-13(10-12)15-11-20-17(19)16(22-15)18(23)21-14-8-3-2-4-9-14/h2-11H,1H3,(H2,19,20)(H,21,23).
What are the key properties of 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide?
3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 304.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(3-methylphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).