methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate

C13H18N4O3 — CID 66457852

IUPACmethyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)CC(=O)N2CCCC2)n1
InChIInChI=1S/C13H18N4O3/c1-16(9-12(18)17-5-3-4-6-17)11-8-14-7-10(15-11)13(19)20-2/h7-8H,3-6,9H2,1-2H3
InChIKeyJOVZSRBFKNQOPB-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.32
Rot. Bonds4

About methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate

methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate (PubChem CID 66457852) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate
PubChem CID66457852
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Namemethyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)c1cncc(N(C)CC(=O)N2CCCC2)n1
InChIInChI=1S/C13H18N4O3/c1-16(9-12(18)17-5-3-4-6-17)11-8-14-7-10(15-11)13(19)20-2/h7-8H,3-6,9H2,1-2H3
InChIKeyJOVZSRBFKNQOPB-UHFFFAOYSA-N
XLogP0.32
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
CID 66456426
methyl 6-[[1-(hydroxymethyl)cyclopropyl]methyl-methylamino]pyrazine-2-carboxylate
CID 126816380
methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
CID 79858166
methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
CID 66458598
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064
1,2-dichloro-4-methoxybenzene;methyl 4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrimidine-2-carboxylate
CID 156723578
methyl 6-[(3-methoxyphenyl)methyl-methylamino]pyrazine-2-carboxylate
CID 66455869
methyl 6-[(5-bromothiophen-3-yl)methyl-methylamino]pyrazine-2-carboxylate
CID 66452032
[6-[methyl(2-morpholin-4-ylethyl)amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134701156
2-methyl-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957593
2-[[2-amino-6-(ethylamino)pyrimidin-4-yl]-methylamino]-1-pyrrolidin-1-ylethanone
CID 80799693
2-[(5-aminopyrimidin-2-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 61438253

Frequently Asked Questions

What is the IUPAC name of methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate (CID 66457852) is methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate is COC(=O)c1cncc(N(C)CC(=O)N2CCCC2)n1.
What is the InChIKey of methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate?
The InChIKey is JOVZSRBFKNQOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16(9-12(18)17-5-3-4-6-17)11-8-14-7-10(15-11)13(19)20-2/h7-8H,3-6,9H2,1-2H3.
What are the key properties of methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate?
methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66457852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).