N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide

C22H23N3O2 — CID 167914682

IUPACN-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide
SMILESCCC(C)(C)c1ccc(NC(=O)c2ncc(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-4-22(2,3)16-10-12-17(13-11-16)24-20(26)19-21(27)25-18(14-23-19)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRKUADZLACVKWHV-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.38
Rot. Bonds5

About N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide

N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide (PubChem CID 167914682) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide
PubChem CID167914682
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide
SMILESCCC(C)(C)c1ccc(NC(=O)c2ncc(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C22H23N3O2/c1-4-22(2,3)16-10-12-17(13-11-16)24-20(26)19-21(27)25-18(14-23-19)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyRKUADZLACVKWHV-UHFFFAOYSA-N
XLogP4.38
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide (CID 167914682) is N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide is CCC(C)(C)c1ccc(NC(=O)c2ncc(-c3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide?
The InChIKey is RKUADZLACVKWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-22(2,3)16-10-12-17(13-11-16)24-20(26)19-21(27)25-18(14-23-19)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide?
N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)phenyl]-2-oxo-6-phenyl-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 167914682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).