1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone

C18H27N3O3 — CID 128993625

IUPAC1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone
SMILESCN(C)c1ncccc1OC1CCN(C(=O)CC2CCCCO2)C1
InChIInChI=1S/C18H27N3O3/c1-20(2)18-16(7-5-9-19-18)24-15-8-10-21(13-15)17(22)12-14-6-3-4-11-23-14/h5,7,9,14-15H,3-4,6,8,10-13H2,1-2H3
InChIKeyREGRIPJWSYFILZ-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.09
Rot. Bonds5

About 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone

1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone (PubChem CID 128993625) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone.

Molecular Properties

Compound Name1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone
PubChem CID128993625
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone
SMILESCN(C)c1ncccc1OC1CCN(C(=O)CC2CCCCO2)C1
InChIInChI=1S/C18H27N3O3/c1-20(2)18-16(7-5-9-19-18)24-15-8-10-21(13-15)17(22)12-14-6-3-4-11-23-14/h5,7,9,14-15H,3-4,6,8,10-13H2,1-2H3
InChIKeyREGRIPJWSYFILZ-UHFFFAOYSA-N
XLogP2.09
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 129475615
1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-3-[(3R)-oxolan-3-yl]propan-1-one
CID 129331719
2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-N-methyl-2-oxoethanesulfonamide
CID 128967651
1-[2-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
CID 129475491
1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 128992413
1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
CID 129477756
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129476756
1-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 128965314
N-(3-methoxy-2-pyridinyl)-N-methyl-2-(oxan-2-yl)acetamide
CID 146083443
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549
2-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 128967014
1-[(3R)-3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 129340088

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone?
The IUPAC name of 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone (CID 128993625) is 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone.
What is the SMILES notation for 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone?
The canonical SMILES for 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone is CN(C)c1ncccc1OC1CCN(C(=O)CC2CCCCO2)C1.
What is the InChIKey of 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone?
The InChIKey is REGRIPJWSYFILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-20(2)18-16(7-5-9-19-18)24-15-8-10-21(13-15)17(22)12-14-6-3-4-11-23-14/h5,7,9,14-15H,3-4,6,8,10-13H2,1-2H3.
What are the key properties of 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone?
1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone has a molecular weight of 333.43 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-(oxan-2-yl)ethanone is sourced from PubChem (CID 128993625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).