5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid

C19H16N2O2 — CID 59654098

IUPAC5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H16N2O2/c1-12-3-7-14(8-4-12)17-18(15-9-5-13(2)6-10-15)21-16(11-20-17)19(22)23/h3-11H,1-2H3,(H,22,23)
InChIKeyVYVFAXPWSMCZTJ-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.13
Rot. Bonds3

About 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid

5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid (PubChem CID 59654098) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid
PubChem CID59654098
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)nc2-c2ccc(C)cc2)cc1
InChIInChI=1S/C19H16N2O2/c1-12-3-7-14(8-4-12)17-18(15-9-5-13(2)6-10-15)21-16(11-20-17)19(22)23/h3-11H,1-2H3,(H,22,23)
InChIKeyVYVFAXPWSMCZTJ-UHFFFAOYSA-N
XLogP4.13
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-N-(1-hydroxy-4-methylpentan-2-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 11429594
(S)-N-(1-hydroxy-3-methylbutan-2-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 11574627
N-(1-hydroxypentan-2-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 11618026
(R)-N-(1-hydroxy-4-methylpentan-2-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 11654299
(R)-N-(1-hydroxy-3-methylbutan-2-yl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 11682550
{trans-4-[4-(6-Carbamoyl-3-methylpyrazin-2-yl)phenyl]cyclohexyl}acetic acid
CID 44126032
N-methyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440706
N-ethyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440707
N-benzyl-N-methyl-5,6-dip-tolylpyrazine-2-carboxamide
CID 44440710
N-(2-hydroxyethyl)-5,6-dip-tolylpyrazine-2-carboxamide
CID 11709987
trans-4-{4-[6-(Aminocarbonyl)-3-methylpyrazin-2-yl]phenyl}cyclo-hexanecarboxylic Acid
CID 44126086
2-[[2-[4-[4-(6-Carbamoylpyrazin-2-yl)phenyl]cyclohexyl]acetyl]amino]-2-methylpropanoic acid
CID 57992190

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid?
The IUPAC name of 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid (CID 59654098) is 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid is Cc1ccc(-c2ncc(C(=O)O)nc2-c2ccc(C)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid?
The InChIKey is VYVFAXPWSMCZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-12-3-7-14(8-4-12)17-18(15-9-5-13(2)6-10-15)21-16(11-20-17)19(22)23/h3-11H,1-2H3,(H,22,23).
What are the key properties of 5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid?
5,6-bis(4-methylphenyl)pyrazine-2-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 4.13, 3 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)pyrazine-2-carboxylic acid is sourced from PubChem (CID 59654098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).