methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate

C12H17N3O4 — CID 66458598

IUPACmethyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
SMILESCOC(=O)CN(c1cncc(C(=O)OC)n1)C(C)C
InChIInChI=1S/C12H17N3O4/c1-8(2)15(7-11(16)18-3)10-6-13-5-9(14-10)12(17)19-4/h5-6,8H,7H2,1-4H3
InChIKeyLVBHSEVTSPXFBC-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.65
Rot. Bonds5

About methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate

methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate (PubChem CID 66458598) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
PubChem CID66458598
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate
SMILESCOC(=O)CN(c1cncc(C(=O)OC)n1)C(C)C
InChIInChI=1S/C12H17N3O4/c1-8(2)15(7-11(16)18-3)10-6-13-5-9(14-10)12(17)19-4/h5-6,8H,7H2,1-4H3
InChIKeyLVBHSEVTSPXFBC-UHFFFAOYSA-N
XLogP0.65
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[bis(2-methoxy-2-oxoethyl)amino]pyrazine-2-carboxylate
CID 66456232
methyl 6-[1-methoxypropan-2-yl(methyl)amino]pyrazine-2-carboxylate
CID 66456064
methyl 6-[2-methoxyethyl(2-methylpropyl)amino]pyrazine-2-carboxylate
CID 66449281
6-[2-methoxyethyl(propan-2-yl)amino]pyrazine-2-carboxylic acid
CID 82950912
methyl 6-[methyl(2-methylsulfonylethyl)amino]pyrazine-2-carboxylate
CID 79858166
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 2-[propan-2-yl-(5-sulfamoyl-2-pyridinyl)amino]acetate
CID 62004980
methyl 2-[propan-2-yl(pyridin-4-yl)amino]acetate
CID 62006867
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 2-[propan-2-yl(quinolin-2-yl)amino]acetate
CID 62005546

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate (CID 66458598) is methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate is COC(=O)CN(c1cncc(C(=O)OC)n1)C(C)C.
What is the InChIKey of methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate?
The InChIKey is LVBHSEVTSPXFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8(2)15(7-11(16)18-3)10-6-13-5-9(14-10)12(17)19-4/h5-6,8H,7H2,1-4H3.
What are the key properties of methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate?
methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]pyrazine-2-carboxylate is sourced from PubChem (CID 66458598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).