4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide

C25H31N3O2 — CID 78152356

IUPAC4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide
SMILESCC(C)C1NC(c2ccccc2)=C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H31N3O2/c1-17(2)20-24(30)28(16-18-12-8-6-9-13-18)22(23(29)27-25(3,4)5)21(26-20)19-14-10-7-11-15-19/h6-15,17,20,26H,16H2,1-5H3,(H,27,29)
InChIKeyOZBVPXYZUKZKHM-UHFFFAOYSA-N
MW405.54 g/mol
LogP3.93
Rot. Bonds5

About 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide

4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide (PubChem CID 78152356) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide
PubChem CID78152356
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Name4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide
SMILESCC(C)C1NC(c2ccccc2)=C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C1=O
InChIInChI=1S/C25H31N3O2/c1-17(2)20-24(30)28(16-18-12-8-6-9-13-18)22(23(29)27-25(3,4)5)21(26-20)19-14-10-7-11-15-19/h6-15,17,20,26H,16H2,1-5H3,(H,27,29)
InChIKeyOZBVPXYZUKZKHM-UHFFFAOYSA-N
XLogP3.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide?
The IUPAC name of 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide (CID 78152356) is 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide.
What is the SMILES notation for 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide?
The canonical SMILES for 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide is CC(C)C1NC(c2ccccc2)=C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide?
The InChIKey is OZBVPXYZUKZKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-17(2)20-24(30)28(16-18-12-8-6-9-13-18)22(23(29)27-25(3,4)5)21(26-20)19-14-10-7-11-15-19/h6-15,17,20,26H,16H2,1-5H3,(H,27,29).
What are the key properties of 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide?
4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-tert-butyl-3-oxo-6-phenyl-2-propan-2-yl-1,2-dihydropyrazine-5-carboxamide is sourced from PubChem (CID 78152356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).