1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

C15H20N4O2 — CID 125009234

IUPAC1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1
InChIInChI=1S/C15H20N4O2/c1-12(20)19-10-4-5-15(19,13-11-16-6-7-17-13)14(21)18-8-2-3-9-18/h6-7,11H,2-5,8-10H2,1H3/t15-/m0/s1
InChIKeyVAWFKEDQSWHAES-HNNXBMFYSA-N
MW288.35 g/mol
LogP0.94
Rot. Bonds2

About 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 125009234) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID125009234
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1
InChIInChI=1S/C15H20N4O2/c1-12(20)19-10-4-5-15(19,13-11-16-6-7-17-13)14(21)18-8-2-3-9-18/h6-7,11H,2-5,8-10H2,1H3/t15-/m0/s1
InChIKeyVAWFKEDQSWHAES-HNNXBMFYSA-N
XLogP0.94
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopentyl-[2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]methanone
CID 127245896
[1-(2-methylpropyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 127245885
(1-benzyl-2-pyrazin-2-ylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 127245882
[(2S)-1-(1H-imidazol-5-ylmethyl)-2-pyrazin-2-ylpyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 124986602
(2S)-N,N-dimethyl-1-(2-piperidin-1-ylacetyl)-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124963497
1-(2-cyclopropylacetyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245914
(2R)-1-ethyl-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 124991793
N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 118740311
(2S)-N-methyl-2-pyrazin-2-yl-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 125006023
(2R)-N,N-dimethyl-2-pyrazin-2-yl-1-(1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxamide
CID 125006234
1-(3-methoxybenzoyl)-N-methyl-2-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 127245714
N-methyl-2-pyrazin-2-yl-1-(2-pyridin-3-ylacetyl)pyrrolidine-2-carboxamide
CID 127245834

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 125009234) is 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1.
What is the InChIKey of 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is VAWFKEDQSWHAES-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-12(20)19-10-4-5-15(19,13-11-16-6-7-17-13)14(21)18-8-2-3-9-18/h6-7,11H,2-5,8-10H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 288.35 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-pyrazin-2-yl-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 125009234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).