6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide

C24H27N3O — CID 59627646

IUPAC6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(N)=O)c(C)nc2C)cc(C)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C24H27N3O/c1-13(2)18-7-9-19(10-8-18)21-14(3)11-20(12-15(21)4)22-16(5)26-17(6)23(27-22)24(25)28/h7-13H,1-6H3,(H2,25,28)
InChIKeyVUKNAUHNYWRGRR-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.27
Rot. Bonds4

About 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide

6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide (PubChem CID 59627646) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide
PubChem CID59627646
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide
SMILESCc1cc(-c2nc(C(N)=O)c(C)nc2C)cc(C)c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C24H27N3O/c1-13(2)18-7-9-19(10-8-18)21-14(3)11-20(12-15(21)4)22-16(5)26-17(6)23(27-22)24(25)28/h7-13H,1-6H3,(H2,25,28)
InChIKeyVUKNAUHNYWRGRR-UHFFFAOYSA-N
XLogP5.27
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide?
The IUPAC name of 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide (CID 59627646) is 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide is Cc1cc(-c2nc(C(N)=O)c(C)nc2C)cc(C)c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide?
The InChIKey is VUKNAUHNYWRGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-13(2)18-7-9-19(10-8-18)21-14(3)11-20(12-15(21)4)22-16(5)26-17(6)23(27-22)24(25)28/h7-13H,1-6H3,(H2,25,28).
What are the key properties of 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide?
6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,5-dimethyl-4-(4-propan-2-ylphenyl)phenyl]-3,5-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 59627646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).