benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate

C19H22ClN3O3 — CID 54269425

IUPACbenzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate
SMILESCc1c(Cl)nc(NCCC2CC2)c(=O)n1CC(=O)OCc1ccccc1
InChIInChI=1S/C19H22ClN3O3/c1-13-17(20)22-18(21-10-9-14-7-8-14)19(25)23(13)11-16(24)26-12-15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,21,22)
InChIKeyRJCDRFVEBJBSEQ-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.16
Rot. Bonds8

About benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate

benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate (PubChem CID 54269425) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate.

Molecular Properties

Compound Namebenzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate
PubChem CID54269425
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Namebenzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate
SMILESCc1c(Cl)nc(NCCC2CC2)c(=O)n1CC(=O)OCc1ccccc1
InChIInChI=1S/C19H22ClN3O3/c1-13-17(20)22-18(21-10-9-14-7-8-14)19(25)23(13)11-16(24)26-12-15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,21,22)
InChIKeyRJCDRFVEBJBSEQ-UHFFFAOYSA-N
XLogP3.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl 2-[3-chloro-5-[(1-cyclopentylpyrrolidin-1-ium-1-yl)methylamino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470942
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CID 10663926
benzyl 2-[3-chloro-2-methyl-6-oxo-5-(1-phenylethylamino)pyrazin-1-yl]acetate
CID 57241169
benzyl 2-[3-chloro-2-methyl-5-[[(3S)-morpholin-3-yl]methylamino]-6-oxopyrazin-1-yl]acetate
CID 59900608
benzyl 2-[3-chloro-5-[[1-(dimethylamino)-2-phenylpropyl]amino]-2-methyl-6-oxopyrazin-1-yl]acetate
CID 18470849
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
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benzyl 2-[5-chloro-3-[(2-methyl-1-phenylpropan-2-yl)amino]-2-oxopyrazin-1-yl]acetate
CID 10693692
2-[3-chloro-5-(2-cyclohexylethylamino)-2-(3-methoxyphenyl)-6-oxopyrazin-1-yl]-N-propan-2-ylacetamide
CID 58812493
1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one
CID 142172858
1-(4-benzyl-6-chloro-5-methyl-3-oxopyrazin-2-yl)-3-methylurea
CID 122212444
benzyl 2-[3,5-dichloro-2-[3-(methylamino)phenyl]-6-oxopyrazin-1-yl]acetate
CID 10895027

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate?
The IUPAC name of benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate (CID 54269425) is benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate.
What is the SMILES notation for benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate?
The canonical SMILES for benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate is Cc1c(Cl)nc(NCCC2CC2)c(=O)n1CC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate?
The InChIKey is RJCDRFVEBJBSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-13-17(20)22-18(21-10-9-14-7-8-14)19(25)23(13)11-16(24)26-12-15-5-3-2-4-6-15/h2-6,14H,7-12H2,1H3,(H,21,22).
What are the key properties of benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate?
benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate has a molecular weight of 375.86 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[3-chloro-5-(2-cyclopropylethylamino)-2-methyl-6-oxopyrazin-1-yl]acetate is sourced from PubChem (CID 54269425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).