methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate

C12H15N3O6 — CID 66456232

IUPACmethyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)CN(CC(=O)OC)c1cncc(C(=O)OC)n1
InChIInChI=1S/C12H15N3O6/c1-19-10(16)6-15(7-11(17)20-2)9-5-13-4-8(14-9)12(18)21-3/h4-5H,6-7H2,1-3H3
InChIKeyWAEBOFDTNKHPFL-UHFFFAOYSA-N
MW297.27 g/mol
LogP-0.58
Rot. Bonds6

About methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate

methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate (PubChem CID 66456232) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
PubChem CID66456232
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Namemethyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
SMILESCOC(=O)CN(CC(=O)OC)c1cncc(C(=O)OC)n1
InChIInChI=1S/C12H15N3O6/c1-19-10(16)6-15(7-11(17)20-2)9-5-13-4-8(14-9)12(18)21-3/h4-5H,6-7H2,1-3H3
InChIKeyWAEBOFDTNKHPFL-UHFFFAOYSA-N
XLogP-0.58
TPSA107.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
CID 66458598
methyl 6-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylate
CID 79390457
methyl 6-[2-aminoethyl(ethyl)amino]pyrazine-2-carboxylate
CID 114900602
methyl 6-[3-(diethylamino)propyl-ethylamino]pyrazine-2-carboxylate
CID 102994007
methyl 6-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboxylate
CID 66449281
methyl 2-[(6-aminopyrazin-2-yl)-ethylamino]acetate
CID 80647804
methyl 6-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyrazine-2-carboxylate
CID 66457852
methyl 6-[methyl(2,2,2-trifluoroethyl)amino]pyrazine-2-carboxylate
CID 66456426
methyl 6-[ethyl(piperidin-4-ylmethyl)amino]pyrazine-2-carboxylate
CID 79719385
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064
methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
CID 79858166
methyl 6-(aminomethyl)pyrazine-2-carboxylate
CID 58009434

Frequently Asked Questions

What is the IUPAC name of methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate (CID 66456232) is methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate is COC(=O)CN(CC(=O)OC)c1cncc(C(=O)OC)n1.
What is the InChIKey of methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate?
The InChIKey is WAEBOFDTNKHPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-19-10(16)6-15(7-11(17)20-2)9-5-13-4-8(14-9)12(18)21-3/h4-5H,6-7H2,1-3H3.
What are the key properties of methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate?
methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate has a molecular weight of 297.27 g/mol, XLogP of -0.58, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate is sourced from PubChem (CID 66456232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).