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

C25H21N3O — CID 10215860

IUPAC5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)Nc3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H21N3O/c1-17-8-12-19(13-9-17)23-24(20-14-10-18(2)11-15-20)28-22(16-26-23)25(29)27-21-6-4-3-5-7-21/h3-16H,1-2H3,(H,27,29)
InChIKeyAKCXCZPEESTMSV-UHFFFAOYSA-N
MW379.46 g/mol
LogP5.68
Rot. Bonds4

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

5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide (PubChem CID 10215860) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide
PubChem CID10215860
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)Nc3ccccc3)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C25H21N3O/c1-17-8-12-19(13-9-17)23-24(20-14-10-18(2)11-15-20)28-22(16-26-23)25(29)27-21-6-4-3-5-7-21/h3-16H,1-2H3,(H,27,29)
InChIKeyAKCXCZPEESTMSV-UHFFFAOYSA-N
XLogP5.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide (CID 10215860) is 5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide is Cc1ccc(-c2ncc(C(=O)Nc3ccccc3)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide?
The InChIKey is AKCXCZPEESTMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O/c1-17-8-12-19(13-9-17)23-24(20-14-10-18(2)11-15-20)28-22(16-26-23)25(29)27-21-6-4-3-5-7-21/h3-16H,1-2H3,(H,27,29).
What are the key properties of 5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide?
5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methylphenyl)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 10215860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).