(2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one

C20H25N3O2 — CID 124566559

IUPAC(2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESC[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-15(25-18-9-5-11-21-14-18)20(24)23-12-6-10-19(23)16-7-4-8-17(13-16)22(2)3/h4-5,7-9,11,13-15,19H,6,10,12H2,1-3H3/t15-,19+/m0/s1
InChIKeyMOSJMHHUOUNGCL-HNAYVOBHSA-N
MW339.44 g/mol
LogP3.28
Rot. Bonds5

About (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one

(2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one (PubChem CID 124566559) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
PubChem CID124566559
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one
SMILESC[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-15(25-18-9-5-11-21-14-18)20(24)23-12-6-10-19(23)16-7-4-8-17(13-16)22(2)3/h4-5,7-9,11,13-15,19H,6,10,12H2,1-3H3/t15-,19+/m0/s1
InChIKeyMOSJMHHUOUNGCL-HNAYVOBHSA-N
XLogP3.28
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one with MolForge

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Related Compounds

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(2S)-2-(3,4-difluorophenoxy)-1-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]propan-1-one
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1-[2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(3-methylphenoxy)propan-1-one
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CID 14233094
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-methoxypropan-1-one
CID 136578063
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CID 124566567
(2R)-2-imidazol-1-yl-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
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2-bromo-1-(2-pyridin-3-ylpyrrolidin-1-yl)butan-1-one
CID 55125872
(2S)-1-[(2R)-2-methylpiperazin-1-yl]-2-pyridin-3-yloxypropan-1-one
CID 124570770
(3,5-dimethoxyphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867000
1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 97237633
N-[2-[1-(2-pyridin-3-yloxypropanoyl)piperidin-2-yl]ethyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The IUPAC name of (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one (CID 124566559) is (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one.
What is the SMILES notation for (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The canonical SMILES for (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one is C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1.
What is the InChIKey of (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
The InChIKey is MOSJMHHUOUNGCL-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(25-18-9-5-11-21-14-18)20(24)23-12-6-10-19(23)16-7-4-8-17(13-16)22(2)3/h4-5,7-9,11,13-15,19H,6,10,12H2,1-3H3/t15-,19+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one?
(2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-pyridin-3-yloxypropan-1-one is sourced from PubChem (CID 124566559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).