2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one

C18H27N3O3 — CID 128966316

IUPAC2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
SMILESCC(OCC1CC1)C(=O)N1CCC(Oc2cccnc2N(C)C)C1
InChIInChI=1S/C18H27N3O3/c1-13(23-12-14-6-7-14)18(22)21-10-8-15(11-21)24-16-5-4-9-19-17(16)20(2)3/h4-5,9,13-15H,6-8,10-12H2,1-3H3
InChIKeyXXESNHBYASCRTA-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.94
Rot. Bonds7

About 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one

2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one (PubChem CID 128966316) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
PubChem CID128966316
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one
SMILESCC(OCC1CC1)C(=O)N1CCC(Oc2cccnc2N(C)C)C1
InChIInChI=1S/C18H27N3O3/c1-13(23-12-14-6-7-14)18(22)21-10-8-15(11-21)24-16-5-4-9-19-17(16)20(2)3/h4-5,9,13-15H,6-8,10-12H2,1-3H3
InChIKeyXXESNHBYASCRTA-UHFFFAOYSA-N
XLogP1.94
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2R)-2-(cyclopropylmethoxy)-1-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
CID 129339148
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549
[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 128968786
1-[(3R)-3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 129340088
1-[3-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 128965218
[(1R,2S)-2-cyclopropylcyclopropyl]-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]methanone
CID 129333977
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129475193
1-[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-3-[(3R)-oxolan-3-yl]propan-1-one
CID 129331719
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129476756
(5R)-5-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 129474182

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one (CID 128966316) is 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one is CC(OCC1CC1)C(=O)N1CCC(Oc2cccnc2N(C)C)C1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
The InChIKey is XXESNHBYASCRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-13(23-12-14-6-7-14)18(22)21-10-8-15(11-21)24-16-5-4-9-19-17(16)20(2)3/h4-5,9,13-15H,6-8,10-12H2,1-3H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one?
2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one has a molecular weight of 333.43 g/mol, XLogP of 1.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 128966316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).