3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide

C20H19N5O2 — CID 52937458

IUPAC3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26)
InChIKeyILCARDBCXRGHLG-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.68
Rot. Bonds4

About 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide

3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide (PubChem CID 52937458) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
PubChem CID52937458
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1
InChIInChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26)
InChIKeyILCARDBCXRGHLG-UHFFFAOYSA-N
XLogP2.68
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide (CID 52937458) is 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide is CN(C)C(=O)c1ccc(-c2cnc(N)c(C(=O)Nc3ccccc3)n2)cc1.
What is the InChIKey of 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
The InChIKey is ILCARDBCXRGHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-25(2)20(27)14-10-8-13(9-11-14)16-12-22-18(21)17(24-16)19(26)23-15-6-4-3-5-7-15/h3-12H,1-2H3,(H2,21,22)(H,23,26).
What are the key properties of 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide?
3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(dimethylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 52937458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).