2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide

C12H19N5O — CID 95843049

IUPAC2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCN(C)c1nccnc1[C@@H]1CCCN1CC(N)=O
InChIInChI=1S/C12H19N5O/c1-16(2)12-11(14-5-6-15-12)9-4-3-7-17(9)8-10(13)18/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,18)/t9-/m0/s1
InChIKeyRBJBONXGVCLTBR-VIFPVBQESA-N
MW249.32 g/mol
LogP0.16
Rot. Bonds4

About 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide

2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 95843049) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID95843049
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCN(C)c1nccnc1[C@@H]1CCCN1CC(N)=O
InChIInChI=1S/C12H19N5O/c1-16(2)12-11(14-5-6-15-12)9-4-3-7-17(9)8-10(13)18/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,18)/t9-/m0/s1
InChIKeyRBJBONXGVCLTBR-VIFPVBQESA-N
XLogP0.16
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2S)-2-[3-(1,3-thiazol-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95828031
1-[(3S)-3-[3-(dimethylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95730767
2-[(2S)-2-(6-methylpyrazin-2-yl)pyrrolidin-1-yl]acetamide
CID 95821390
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666
2-[(2S)-2-(3,4-dichlorophenyl)pyrrolidin-1-yl]acetamide
CID 94418866
2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 167235673
2-[(2R)-2-[6-(2-methylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]acetamide
CID 95815925
2-(2-cyclopropylpyrrolidin-1-yl)acetamide
CID 126996638
2-[3-[3-(methylamino)pyrazin-2-yl]piperidin-1-yl]acetamide
CID 110269870
3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]pyrazine-2-carboxylic acid
CID 79312721
N,N-dimethyl-2-[2-[3-[(6-methyl-2-pyridinyl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 110270567
2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetamide
CID 14209997

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide (CID 95843049) is 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide is CN(C)c1nccnc1[C@@H]1CCCN1CC(N)=O.
What is the InChIKey of 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is RBJBONXGVCLTBR-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19N5O/c1-16(2)12-11(14-5-6-15-12)9-4-3-7-17(9)8-10(13)18/h5-6,9H,3-4,7-8H2,1-2H3,(H2,13,18)/t9-/m0/s1.
What are the key properties of 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide?
2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-[3-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95843049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).