methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate

C11H12N4O4 — CID 55154789

IUPACmethyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nccnc1C#N
InChIInChI=1S/C11H12N4O4/c1-18-9(16)6-15(7-10(17)19-2)11-8(5-12)13-3-4-14-11/h3-4H,6-7H2,1-2H3
InChIKeyTYDXJMFRSXCXBE-UHFFFAOYSA-N
MW264.24 g/mol
LogP-0.50
Rot. Bonds5

About methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 55154789) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID55154789
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Namemethyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)c1nccnc1C#N
InChIInChI=1S/C11H12N4O4/c1-18-9(16)6-15(7-10(17)19-2)11-8(5-12)13-3-4-14-11/h3-4H,6-7H2,1-2H3
InChIKeyTYDXJMFRSXCXBE-UHFFFAOYSA-N
XLogP-0.50
TPSA105.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate (CID 55154789) is methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate is COC(=O)CN(CC(=O)OC)c1nccnc1C#N.
What is the InChIKey of methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is TYDXJMFRSXCXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-18-9(16)6-15(7-10(17)19-2)11-8(5-12)13-3-4-14-11/h3-4H,6-7H2,1-2H3.
What are the key properties of methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 264.24 g/mol, XLogP of -0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-cyanopyrazin-2-yl)-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 55154789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).