2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid

C20H18ClN3O3 — CID 11003513

IUPAC2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O
InChIInChI=1S/C20H18ClN3O3/c21-18-17(15-9-5-2-6-10-15)24(13-16(25)26)20(27)19(23-18)22-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,22,23)(H,25,26)
InChIKeyPFTIZQWAPGXESI-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.30
Rot. Bonds7

About 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid

2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid (PubChem CID 11003513) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
PubChem CID11003513
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
SMILESO=C(O)Cn1c(-c2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O
InChIInChI=1S/C20H18ClN3O3/c21-18-17(15-9-5-2-6-10-15)24(13-16(25)26)20(27)19(23-18)22-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,22,23)(H,25,26)
InChIKeyPFTIZQWAPGXESI-UHFFFAOYSA-N
XLogP3.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The IUPAC name of 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid (CID 11003513) is 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid is O=C(O)Cn1c(-c2ccccc2)c(Cl)nc(NCCc2ccccc2)c1=O.
What is the InChIKey of 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The InChIKey is PFTIZQWAPGXESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-18-17(15-9-5-2-6-10-15)24(13-16(25)26)20(27)19(23-18)22-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,22,23)(H,25,26).
What are the key properties of 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid has a molecular weight of 383.84 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid is sourced from PubChem (CID 11003513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).