5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide

C25H21N3O3 — CID 10216322

IUPAC5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)Nc3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,27,29)
InChIKeyDSSMWRUERDOSAD-UHFFFAOYSA-N
MW411.46 g/mol
LogP5.08
Rot. Bonds6

About 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide

5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 10216322) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID10216322
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCOc1ccc(-c2ncc(C(=O)Nc3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H21N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,27,29)
InChIKeyDSSMWRUERDOSAD-UHFFFAOYSA-N
XLogP5.08
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.46
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide (CID 10216322) is 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide is COc1ccc(-c2ncc(C(=O)Nc3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is DSSMWRUERDOSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-30-20-12-8-17(9-13-20)23-24(18-10-14-21(31-2)15-11-18)28-22(16-26-23)25(29)27-19-6-4-3-5-7-19/h3-16H,1-2H3,(H,27,29).
What are the key properties of 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide?
5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 5.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 10216322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).