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

C15H16ClN3O3 — CID 10980192

IUPAC2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid
SMILESCCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)O)c1=O
InChIInChI=1S/C15H16ClN3O3/c1-2-8-17-14-15(22)19(9-11(20)21)12(13(16)18-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18)(H,20,21)
InChIKeyXVPBVALJCFOYNP-UHFFFAOYSA-N
MW321.76 g/mol
LogP2.47
Rot. Bonds6

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

2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid (PubChem CID 10980192) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid
PubChem CID10980192
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid
SMILESCCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)O)c1=O
InChIInChI=1S/C15H16ClN3O3/c1-2-8-17-14-15(22)19(9-11(20)21)12(13(16)18-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18)(H,20,21)
InChIKeyXVPBVALJCFOYNP-UHFFFAOYSA-N
XLogP2.47
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-chloro-2-oxo-6-phenyl-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
CID 11003513
2-[5-chloro-3-(2-cyanoethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetic acid
CID 54000224
benzyl 2-[5-chloro-3-(ethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate
CID 11143781
benzyl 2-[3-chloro-2-(4-chlorophenyl)-6-oxo-5-(2-phenylethylamino)pyrazin-1-yl]acetate
CID 11060264
3,5-dichloro-6-phenyl-1-propylpyrazin-2-one
CID 102534412
2-[2-chloro-3-ethyl-6-oxo-5-(2-pyridin-2-ylethylamino)pyrazin-1-yl]acetic acid
CID 70066915
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(2-isocyanoethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide
CID 20608772
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-[2-(dimethylamino)ethylamino]-2-oxo-6-phenylpyrazin-1-yl]acetamide
CID 10885334
2-[2-benzyl-5-(tert-butylcarbamoylamino)-3-chloro-6-oxopyrazin-1-yl]acetic acid
CID 127045959
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-[4-(diaminomethylideneamino)butylamino]-2-oxo-6-phenylpyrazin-1-yl]acetamide;trihydrochloride
CID 162332014
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-[2-(3-chlorophenyl)ethylamino]-2-oxo-6-phenylpyrazin-1-yl]acetamide
CID 11734310
N-[(4-carbamimidoylphenyl)methyl]-2-[5-chloro-3-(2-isocyanoethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetamide;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 159627631

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid?
The IUPAC name of 2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid (CID 10980192) is 2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid is CCCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)O)c1=O.
What is the InChIKey of 2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid?
The InChIKey is XVPBVALJCFOYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-2-8-17-14-15(22)19(9-11(20)21)12(13(16)18-14)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,17,18)(H,20,21).
What are the key properties of 2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid?
2-[5-chloro-2-oxo-6-phenyl-3-(propylamino)pyrazin-1-yl]acetic acid has a molecular weight of 321.76 g/mol, XLogP of 2.47, 6 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-(propylamino)pyrazin-1-yl]acetic acid is sourced from PubChem (CID 10980192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).