2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone

C13H19N3O — CID 73440457

IUPAC2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CCCC1c1ccccn1
InChIInChI=1S/C13H19N3O/c1-15(2)10-13(17)16-9-5-7-12(16)11-6-3-4-8-14-11/h3-4,6,8,12H,5,7,9-10H2,1-2H3
InChIKeyHQCTWPCOSFTAHY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.31
Rot. Bonds3

About 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone

2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone (PubChem CID 73440457) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
PubChem CID73440457
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CCCC1c1ccccn1
InChIInChI=1S/C13H19N3O/c1-15(2)10-13(17)16-9-5-7-12(16)11-6-3-4-8-14-11/h3-4,6,8,12H,5,7,9-10H2,1-2H3
InChIKeyHQCTWPCOSFTAHY-UHFFFAOYSA-N
XLogP1.31
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]piperidine-4-carboxamide
CID 97120709
2-(dimethylamino)-1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95838931
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
2-(benzotriazol-2-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 77091255
2-(dimethylamino)-1-[(2R)-2-[6-[(2-methyl-3-pyridinyl)oxy]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95823088
2-(dimethylamino)-1-[(2R)-2-[6-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835392
2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94811631
2-(3-methylindol-1-yl)-1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94363141
1-(2-pyridin-2-ylpiperidin-1-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 90649217
1-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 94616521
(5R)-5-cyclopropyl-5-methyl-3-[2-oxo-2-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94616491
2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 72861855

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone (CID 73440457) is 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone is CN(C)CC(=O)N1CCCC1c1ccccn1.
What is the InChIKey of 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?
The InChIKey is HQCTWPCOSFTAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-15(2)10-13(17)16-9-5-7-12(16)11-6-3-4-8-14-11/h3-4,6,8,12H,5,7,9-10H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone?
2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone has a molecular weight of 233.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-pyridin-2-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 73440457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).