methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate

C12H17N3O4 — CID 114059884

IUPACmethyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CC(OC)C(OC)C2)cn1
InChIInChI=1S/C12H17N3O4/c1-17-9-6-15(7-10(9)18-2)11-5-13-8(4-14-11)12(16)19-3/h4-5,9-10H,6-7H2,1-3H3
InChIKeyKTMXVBYRZPEZPJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.11
Rot. Bonds4

About methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate

methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate (PubChem CID 114059884) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
PubChem CID114059884
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CC(OC)C(OC)C2)cn1
InChIInChI=1S/C12H17N3O4/c1-17-9-6-15(7-10(9)18-2)11-5-13-8(4-14-11)12(16)19-3/h4-5,9-10H,6-7H2,1-3H3
InChIKeyKTMXVBYRZPEZPJ-UHFFFAOYSA-N
XLogP0.11
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059854
methyl 5-[(3aR,5R,6R,7aS)-5-hydroxy-6-(2-methoxyphenoxy)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]pyrazine-2-carboxylate
CID 172670668
methyl 5-(4-ethynyl-2-oxopyrrolidin-1-yl)pyrazine-2-carboxylate
CID 168500771
ethyl (3aS,4S,5S,7aR)-2-(5-methoxycarbonylpyrazin-2-yl)-5-methyl-1,3,3a,4,5,7a-hexahydroisoindole-4-carboxylate
CID 154819008
2-(chloromethyl)-5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine
CID 107373590
methyl 5-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 155501230
methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114059784
methyl 5-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 168681086
methyl 5-(2,3-dimethylthiomorpholin-4-yl)pyrazine-2-carboxylate
CID 114059865

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate (CID 114059884) is methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cnc(N2CC(OC)C(OC)C2)cn1.
What is the InChIKey of methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is KTMXVBYRZPEZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-17-9-6-15(7-10(9)18-2)11-5-13-8(4-14-11)12(16)19-3/h4-5,9-10H,6-7H2,1-3H3.
What are the key properties of methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate?
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 267.28 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 114059884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).