methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate

C12H14N4O2 — CID 133362759

IUPACmethyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2nccnc2C#N)C1
InChIInChI=1S/C12H14N4O2/c1-12(11(17)18-2)3-6-16(8-12)10-9(7-13)14-4-5-15-10/h4-5H,3,6,8H2,1-2H3
InChIKeyYYHDPWDXIBIURW-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.74
Rot. Bonds2

About methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate

methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate (PubChem CID 133362759) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate
PubChem CID133362759
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCN(c2nccnc2C#N)C1
InChIInChI=1S/C12H14N4O2/c1-12(11(17)18-2)3-6-16(8-12)10-9(7-13)14-4-5-15-10/h4-5H,3,6,8H2,1-2H3
InChIKeyYYHDPWDXIBIURW-UHFFFAOYSA-N
XLogP0.74
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxylate
CID 133362806
3-(3-hydroxy-3-methylpiperidin-1-yl)pyrazine-2-carbonitrile
CID 115871352
1-(2-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318434
1-(3-cyano-4-methyl-2-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150543
methyl 3-methyl-1-(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 133362775
methyl 1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 167845501
methyl 3-methyl-1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-3-carboxylate
CID 133430325
1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 62684699
methyl 1-(6-chloro-2-methylpyrimidin-4-yl)-3-methylpyrrolidine-3-carboxylate
CID 133362813
methyl 2-[4-(3-cyanopyrazin-2-yl)morpholin-2-yl]acetate
CID 79770872
methyl 1-(6-amino-2-pyridinyl)-3-methylpyrrolidine-3-carboxylate
CID 156540993
methyl 1-(3-cyanopyrazin-2-yl)piperidine-2-carboxylate
CID 115534569

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate (CID 133362759) is methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate is COC(=O)C1(C)CCN(c2nccnc2C#N)C1.
What is the InChIKey of methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate?
The InChIKey is YYHDPWDXIBIURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-12(11(17)18-2)3-6-16(8-12)10-9(7-13)14-4-5-15-10/h4-5H,3,6,8H2,1-2H3.
What are the key properties of methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate?
methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-cyanopyrazin-2-yl)-3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 133362759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).