1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide

C11H16N4O — CID 133470261

IUPAC1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cnc(C)c(N2CCC(C(N)=O)C2)n1
InChIInChI=1S/C11H16N4O/c1-7-5-13-8(2)11(14-7)15-4-3-9(6-15)10(12)16/h5,9H,3-4,6H2,1-2H3,(H2,12,16)
InChIKeyXHLXTJBHUBAGCT-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.41
Rot. Bonds2

About 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide

1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide (PubChem CID 133470261) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
PubChem CID133470261
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
SMILESCc1cnc(C)c(N2CCC(C(N)=O)C2)n1
InChIInChI=1S/C11H16N4O/c1-7-5-13-8(2)11(14-7)15-4-3-9(6-15)10(12)16/h5,9H,3-4,6H2,1-2H3,(H2,12,16)
InChIKeyXHLXTJBHUBAGCT-UHFFFAOYSA-N
XLogP0.41
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone
CID 175648087
2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 126808174
1-(3,6-dimethylpyrazin-2-yl)-N,N-diethylpiperidine-4-carboxamide
CID 133469139
1-(5-bromo-3-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 103738540
1-(3,6-dimethylpyrazin-2-yl)-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 99855067
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891
1-(3-bromo-4-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 107257846
3-(3-bromo-4-methylpiperidin-1-yl)-2,5-dimethylpyrazine
CID 102961228
3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
CID 80680091
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285
1-(3,6-dimethylpyrazin-2-yl)azetidin-3-ol
CID 65419073
1-(5,6-dimethylpyrimidin-4-yl)piperidine-3-carboxamide
CID 172899276

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide (CID 133470261) is 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide is Cc1cnc(C)c(N2CCC(C(N)=O)C2)n1.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is XHLXTJBHUBAGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-7-5-13-8(2)11(14-7)15-4-3-9(6-15)10(12)16/h5,9H,3-4,6H2,1-2H3,(H2,12,16).
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide?
1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 133470261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).