4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide

C21H20FN3O2 — CID 59304198

IUPAC4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nccn(Cc3ccccc3)c2=O)cc1F
InChIInChI=1S/C21H20FN3O2/c1-14(2)17-9-8-16(12-18(17)22)24-20(26)19-21(27)25(11-10-23-19)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyIPZGNCBXBQPWSG-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.81
Rot. Bonds5

About 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide

4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide (PubChem CID 59304198) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide
PubChem CID59304198
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2nccn(Cc3ccccc3)c2=O)cc1F
InChIInChI=1S/C21H20FN3O2/c1-14(2)17-9-8-16(12-18(17)22)24-20(26)19-21(27)25(11-10-23-19)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,24,26)
InChIKeyIPZGNCBXBQPWSG-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide?
The IUPAC name of 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide (CID 59304198) is 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide?
The canonical SMILES for 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide is CC(C)c1ccc(NC(=O)c2nccn(Cc3ccccc3)c2=O)cc1F.
What is the InChIKey of 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide?
The InChIKey is IPZGNCBXBQPWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14(2)17-9-8-16(12-18(17)22)24-20(26)19-21(27)25(11-10-23-19)13-15-6-4-3-5-7-15/h3-12,14H,13H2,1-2H3,(H,24,26).
What are the key properties of 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide?
4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide has a molecular weight of 365.41 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(3-fluoro-4-propan-2-ylphenyl)-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 59304198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).