methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate

C15H16ClN3O3 — CID 16752456

IUPACmethyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(Cl)cn(CCc2ccccc2)c1=O
InChIInChI=1S/C15H16ClN3O3/c1-22-13(20)9-17-14-15(21)19(10-12(16)18-14)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,18)
InChIKeySXWJXEVTZHFAFT-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.72
Rot. Bonds6

About methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate

methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate (PubChem CID 16752456) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate
PubChem CID16752456
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Namemethyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate
SMILESCOC(=O)CNc1nc(Cl)cn(CCc2ccccc2)c1=O
InChIInChI=1S/C15H16ClN3O3/c1-22-13(20)9-17-14-15(21)19(10-12(16)18-14)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,18)
InChIKeySXWJXEVTZHFAFT-UHFFFAOYSA-N
XLogP1.72
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate with MolForge

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Related Compounds

3-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]-N-(pyridin-2-ylmethyl)propanamide
CID 16752353
2-[(4-benzyl-6-chloro-3-oxopyrazin-2-yl)amino]-N-(2-indol-1-ylethyl)acetamide
CID 16752454
benzyl 2-[5-chloro-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetate
CID 10693692
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CID 15733303
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CID 3927875
methyl 2-[(7-chloro-3-phenylisoquinolin-1-yl)amino]acetate
CID 122222202
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
methyl 2-[(2-chloro-[1]benzothiolo[3,2-d]pyrimidin-4-yl)amino]acetate
CID 95929140
methyl 3-[4-oxo-2-(3-phenylpropylsulfanyl)quinazolin-3-yl]propanoate
CID 7644803
acetylene;methoxymethane;methyl 3-phenylpropanoate
CID 142087261
methyl 2-(3-chloroindol-1-yl)acetate
CID 62805557
methyl 2-[(4-methylphthalazin-1-yl)amino]acetate
CID 43419766

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate?
The IUPAC name of methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate (CID 16752456) is methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate?
The canonical SMILES for methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate is COC(=O)CNc1nc(Cl)cn(CCc2ccccc2)c1=O.
What is the InChIKey of methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate?
The InChIKey is SXWJXEVTZHFAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-22-13(20)9-17-14-15(21)19(10-12(16)18-14)8-7-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,17,18).
What are the key properties of methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate?
methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate has a molecular weight of 321.76 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-chloro-3-oxo-4-(2-phenylethyl)pyrazin-2-yl]amino]acetate is sourced from PubChem (CID 16752456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).