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

C22H23N3O3 — CID 157270560

IUPAC2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
SMILESCCc1cccc(-c2cnc(NCCc3ccccc3)c(=O)n2CC(=O)O)c1
InChIInChI=1S/C22H23N3O3/c1-2-16-9-6-10-18(13-16)19-14-24-21(22(28)25(19)15-20(26)27)23-12-11-17-7-4-3-5-8-17/h3-10,13-14H,2,11-12,15H2,1H3,(H,23,24)(H,26,27)
InChIKeyCYXUEVVSXVNABM-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.21
Rot. Bonds8

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

2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid (PubChem CID 157270560) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
PubChem CID157270560
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
SMILESCCc1cccc(-c2cnc(NCCc3ccccc3)c(=O)n2CC(=O)O)c1
InChIInChI=1S/C22H23N3O3/c1-2-16-9-6-10-18(13-16)19-14-24-21(22(28)25(19)15-20(26)27)23-12-11-17-7-4-3-5-8-17/h3-10,13-14H,2,11-12,15H2,1H3,(H,23,24)(H,26,27)
InChIKeyCYXUEVVSXVNABM-UHFFFAOYSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid;2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)acetamide;1H-pyrrolo[3,2-c]pyridin-2-ylmethanamine
CID 159752401
2-[6-[(E)-4-hydroxybut-1-enyl]-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 156750867
1-ethyl-6-(4-methoxyphenyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 142097212
2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid;2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]-N-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-ylmethyl)acetamide;4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-ylmethanamine
CID 159814750
N-[3-(diaminomethylideneamino)propyl]-2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetamide;trihydrochloride
CID 162320818
2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 11003513
2-[6-chloro-3-[2-(4-chlorophenyl)ethylamino]-2-oxopyrazin-1-yl]acetic acid
CID 11493883
2-[3-[(2,4-dimethoxyphenyl)methylamino]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
CID 170790056
2-[6-methyl-2-oxo-3-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 18621230
[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl-[2-[2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetyl]amino] 2,2,2-trifluoroacetate
CID 167431220
2-[3-[2-(4-fluorophenyl)ethyl]-2-oxo-6-phenylpyrazin-1-yl]acetic acid
CID 158193786
methyl 2-[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(2-phenylethylamino)phenyl]-2-oxo-3-(propan-2-ylamino)pyrazin-1-yl]acetate
CID 86592722

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The IUPAC name of 2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid (CID 157270560) is 2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid is CCc1cccc(-c2cnc(NCCc3ccccc3)c(=O)n2CC(=O)O)c1.
What is the InChIKey of 2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The InChIKey is CYXUEVVSXVNABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-16-9-6-10-18(13-16)19-14-24-21(22(28)25(19)15-20(26)27)23-12-11-17-7-4-3-5-8-17/h3-10,13-14H,2,11-12,15H2,1H3,(H,23,24)(H,26,27).
What are the key properties of 2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-ethylphenyl)-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid is sourced from PubChem (CID 157270560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).