2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid

C20H19N3O3 — CID 23089162

IUPAC2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cnc(NCCc2ccccc2)c1=O
InChIInChI=1S/C20H19N3O3/c24-18(25)14-23-17(16-9-5-2-6-10-16)13-22-19(20(23)26)21-12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,21,22)(H,24,25)
InChIKeyKUCARUGEIOILCH-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.65
Rot. Bonds7

About 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid

2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid (PubChem CID 23089162) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
PubChem CID23089162
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)cnc(NCCc2ccccc2)c1=O
InChIInChI=1S/C20H19N3O3/c24-18(25)14-23-17(16-9-5-2-6-10-16)13-22-19(20(23)26)21-12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,21,22)(H,24,25)
InChIKeyKUCARUGEIOILCH-UHFFFAOYSA-N
XLogP2.65
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The IUPAC name of 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid (CID 23089162) is 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid is O=C(O)Cn1c(-c2ccccc2)cnc(NCCc2ccccc2)c1=O.
What is the InChIKey of 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The InChIKey is KUCARUGEIOILCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-18(25)14-23-17(16-9-5-2-6-10-16)13-22-19(20(23)26)21-12-11-15-7-3-1-4-8-15/h1-10,13H,11-12,14H2,(H,21,22)(H,24,25).
What are the key properties of 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid has a molecular weight of 349.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid is sourced from PubChem (CID 23089162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).