2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide

C12H18N4O — CID 126808174

IUPAC2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
SMILESCc1cnc(C)c(N2CCC(CC(N)=O)C2)n1
InChIInChI=1S/C12H18N4O/c1-8-6-14-9(2)12(15-8)16-4-3-10(7-16)5-11(13)17/h6,10H,3-5,7H2,1-2H3,(H2,13,17)
InChIKeyKQHOXDRKDKSLDF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.80
Rot. Bonds3

About 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide

2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide (PubChem CID 126808174) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
PubChem CID126808174
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide
SMILESCc1cnc(C)c(N2CCC(CC(N)=O)C2)n1
InChIInChI=1S/C12H18N4O/c1-8-6-14-9(2)12(15-8)16-4-3-10(7-16)5-11(13)17/h6,10H,3-5,7H2,1-2H3,(H2,13,17)
InChIKeyKQHOXDRKDKSLDF-UHFFFAOYSA-N
XLogP0.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,6-dimethylpyrazin-2-yl)pyrrolidine-3-carboxamide
CID 133470261
3-[3-(bromomethyl)pyrrolidin-1-yl]-2,5-dimethylpyrazine
CID 80680091
(2-amino-2-oxoethyl) 3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]propanoate
CID 58032791
N-[[(3S)-1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]acetamide
CID 39754180
1-(3,6-dimethylpyrazin-2-yl)-N,N-diethylpiperidine-4-carboxamide
CID 133469139
2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80806378
2-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]acetamide
CID 127266551
N-[[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 62587609
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285
2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 62475541
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
3-(3-bromo-4-methylpiperidin-1-yl)-2,5-dimethylpyrazine
CID 102961228

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide (CID 126808174) is 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide is Cc1cnc(C)c(N2CCC(CC(N)=O)C2)n1.
What is the InChIKey of 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide?
The InChIKey is KQHOXDRKDKSLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-6-14-9(2)12(15-8)16-4-3-10(7-16)5-11(13)17/h6,10H,3-5,7H2,1-2H3,(H2,13,17).
What are the key properties of 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide?
2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide has a molecular weight of 234.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 126808174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).