2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one

C14H21N3O — CID 43083640

IUPAC2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCCc1ccccn1)C(=O)N1CCCC1
InChIInChI=1S/C14H21N3O/c1-12(14(18)17-10-4-5-11-17)15-9-7-13-6-2-3-8-16-13/h2-3,6,8,12,15H,4-5,7,9-11H2,1H3
InChIKeyFTZZSJPRGXKIDL-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.22
Rot. Bonds5

About 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43083640) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43083640
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NCCc1ccccn1)C(=O)N1CCCC1
InChIInChI=1S/C14H21N3O/c1-12(14(18)17-10-4-5-11-17)15-9-7-13-6-2-3-8-16-13/h2-3,6,8,12,15H,4-5,7,9-11H2,1H3
InChIKeyFTZZSJPRGXKIDL-UHFFFAOYSA-N
XLogP1.22
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(2-pyridin-2-ylethylamino)propan-1-one
CID 95274911
N-phenyl-2-(2-pyridin-2-ylethylamino)propanamide
CID 43083637
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838
2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 106832007
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
CID 84583378
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571278
1-(azepan-1-yl)-2-[2-(3-methylphenyl)ethylamino]propan-1-one
CID 62313384
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
1-pyrrolidin-1-yl-2-(quinolin-4-ylmethylamino)propan-1-one
CID 115619137
3-ethyl-N-(2-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 86999163

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 43083640) is 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(NCCc1ccccn1)C(=O)N1CCCC1.
What is the InChIKey of 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FTZZSJPRGXKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(14(18)17-10-4-5-11-17)15-9-7-13-6-2-3-8-16-13/h2-3,6,8,12,15H,4-5,7,9-11H2,1H3.
What are the key properties of 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylethylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43083640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).