methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate

C12H16N4O3 — CID 114059854

IUPACmethyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(NC(C)=O)C2)cn1
InChIInChI=1S/C12H16N4O3/c1-8(17)15-9-3-4-16(7-9)11-6-13-10(5-14-11)12(18)19-2/h5-6,9H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyYLOCGUKUXHUMEX-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.02
Rot. Bonds3

About methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate

methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate (PubChem CID 114059854) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
PubChem CID114059854
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Namemethyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate
SMILESCOC(=O)c1cnc(N2CCC(NC(C)=O)C2)cn1
InChIInChI=1S/C12H16N4O3/c1-8(17)15-9-3-4-16(7-9)11-6-13-10(5-14-11)12(18)19-2/h5-6,9H,3-4,7H2,1-2H3,(H,15,17)
InChIKeyYLOCGUKUXHUMEX-UHFFFAOYSA-N
XLogP-0.02
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrazine-2-carboxylate
CID 166507892
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 175889178
methyl 5-(3,4-dimethoxypyrrolidin-1-yl)pyrazine-2-carboxylate
CID 114059884
5-[4-(3-methoxycarbonylpyrazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 166401696
5-[3-(4-methoxycarbonyltriazol-1-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122054898
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
methyl 5-(1,3-dihydroisoindol-2-yl)pyrazine-2-carboxylate
CID 114059785
N-[1-[6-(3-acetamidopyrrolidin-1-yl)-5-methylpyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 138033621
methyl 6-[4-[(3S)-3-acetamidopyrrolidin-1-yl]-3-methylphenyl]pyrazine-2-carboxylate
CID 146375024
methyl 5-(2,3-dimethylpiperidin-1-yl)pyrazine-2-carboxylate
CID 114059784
N-[1-(6-methylpyrazin-2-yl)piperidin-3-yl]acetamide
CID 171327953

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate?
The IUPAC name of methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate (CID 114059854) is methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate.
What is the SMILES notation for methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate?
The canonical SMILES for methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate is COC(=O)c1cnc(N2CCC(NC(C)=O)C2)cn1.
What is the InChIKey of methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate?
The InChIKey is YLOCGUKUXHUMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-8(17)15-9-3-4-16(7-9)11-6-13-10(5-14-11)12(18)19-2/h5-6,9H,3-4,7H2,1-2H3,(H,15,17).
What are the key properties of methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate?
methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-acetamidopyrrolidin-1-yl)pyrazine-2-carboxylate is sourced from PubChem (CID 114059854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).