methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate

C12H16N4O3 — CID 113330474

IUPACmethyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1nccnc1C#N
InChIInChI=1S/C12H16N4O3/c1-18-8-7-16(6-3-11(17)19-2)12-10(9-13)14-4-5-15-12/h4-5H,3,6-8H2,1-2H3
InChIKeySSGQXMYYTPFHSO-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.36
Rot. Bonds7

About methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate (PubChem CID 113330474) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate
PubChem CID113330474
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)c1nccnc1C#N
InChIInChI=1S/C12H16N4O3/c1-18-8-7-16(6-3-11(17)19-2)12-10(9-13)14-4-5-15-12/h4-5H,3,6-8H2,1-2H3
InChIKeySSGQXMYYTPFHSO-UHFFFAOYSA-N
XLogP0.36
TPSA88.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[(3-chloro-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 113331207
methyl 3-[(3-carbamoyl-2-pyridinyl)-(2-methoxyethyl)amino]propanoate
CID 115538155
methyl 3-[(4-cyano-5,6-dimethylpyridazin-3-yl)-(2-methoxyethyl)amino]propanoate
CID 115534528
methyl 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)-(2-methoxyethyl)amino]propanoate
CID 80703580
methyl 3-[2-bromo-4-cyano-N-(2-methoxyethyl)anilino]propanoate
CID 82797207
methyl 3-[3-chloro-2-cyano-N-(2-methoxyethyl)anilino]propanoate
CID 115534536
3-[ethyl(propyl)amino]pyrazine-2-carbonitrile
CID 62685381
3-(2-methoxyethylamino)pyrazine-2-carbonitrile
CID 62671434
methyl 3-[2-methoxyethyl-[6-(methylcarbamoyl)pyridazin-3-yl]amino]propanoate
CID 79937428
3-[bis(2-methoxyethyl)amino]pyrazine-2-carbothioamide
CID 62684960
1-[2-[bis(2-methoxyethyl)amino]-3-pyridinyl]ethanone
CID 114055532
methyl 3-[4-[bis(3-methoxy-3-oxopropyl)amino]-N-(3-methoxy-3-oxopropyl)anilino]propanoate
CID 101485319

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate (CID 113330474) is methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)c1nccnc1C#N.
What is the InChIKey of methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is SSGQXMYYTPFHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-18-8-7-16(6-3-11(17)19-2)12-10(9-13)14-4-5-15-12/h4-5H,3,6-8H2,1-2H3.
What are the key properties of methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 264.28 g/mol, XLogP of 0.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyanopyrazin-2-yl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 113330474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).