[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone

C17H21N3O2 — CID 97470905

IUPAC[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESCN(C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1cccnc1
InChIInChI=1S/C17H21N3O2/c1-19(2)14-7-9-20(17(21)16-6-4-10-22-16)15(14)11-13-5-3-8-18-12-13/h3-6,8,10,12,14-15H,7,9,11H2,1-2H3/t14-,15+/m1/s1
InChIKeyPXQUWURFPHAROY-CABCVRRESA-N
MW299.37 g/mol
LogP2.06
Rot. Bonds4

About [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone

[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 97470905) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID97470905
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESCN(C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1cccnc1
InChIInChI=1S/C17H21N3O2/c1-19(2)14-7-9-20(17(21)16-6-4-10-22-16)15(14)11-13-5-3-8-18-12-13/h3-6,8,10,12,14-15H,7,9,11H2,1-2H3/t14-,15+/m1/s1
InChIKeyPXQUWURFPHAROY-CABCVRRESA-N
XLogP2.06
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

furan-2-yl-[(2R,3S)-3-morpholin-4-yl-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 124787611
(2S,3R)-N,N-dimethyl-1-methylsulfonyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 97392082
(2S,3R)-N,N-dimethyl-1-(oxan-4-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-amine
CID 97470922
[(2S,3R)-3-(dimethylamino)-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97392131
1-(furan-2-carbonyl)-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 171688622
1-(furan-2-carbonyl)-4-[methyl(pyridin-3-ylmethyl)amino]piperidine-2-carboxylic acid;bis(2,2,2-trifluoroacetic acid)
CID 155856159
[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-(furan-2-yl)methanone
CID 102787065
N-[(2S,3R)-1-(furan-2-carbonyl)-2-(pyridin-4-ylmethyl)pyrrolidin-3-yl]methanesulfonamide
CID 97471100
furan-2-yl-[(2S,3R)-3-morpholin-4-yl-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 97471088
(2S,3R)-N,N-dimethyl-1-(5-methylpyrimidin-2-yl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155832416
furan-2-yl-[9-(pyridin-3-ylmethoxy)-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl]methanone
CID 131648889
furan-2-yl-[(5R)-5-(pyridin-3-yloxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]methanone
CID 134689971

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone (CID 97470905) is [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone is CN(C)[C@@H]1CCN(C(=O)c2ccco2)[C@H]1Cc1cccnc1.
What is the InChIKey of [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is PXQUWURFPHAROY-CABCVRRESA-N. The full InChI is InChI=1S/C17H21N3O2/c1-19(2)14-7-9-20(17(21)16-6-4-10-22-16)15(14)11-13-5-3-8-18-12-13/h3-6,8,10,12,14-15H,7,9,11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone?
[(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 299.37 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-(dimethylamino)-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 97470905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).