[3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

C21H26N2O3 — CID 156611517

IUPAC[3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(COCC3CC3)C(c3ccccn3)C2)c(C)o1
InChIInChI=1S/C21H26N2O3/c1-14-9-18(15(2)26-14)21(24)23-10-17(13-25-12-16-6-7-16)19(11-23)20-5-3-4-8-22-20/h3-5,8-9,16-17,19H,6-7,10-13H2,1-2H3
InChIKeyUPGDIHXGTFNRSX-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.57
Rot. Bonds6

About [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone

[3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (PubChem CID 156611517) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name[3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
PubChem CID156611517
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name[3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(COCC3CC3)C(c3ccccn3)C2)c(C)o1
InChIInChI=1S/C21H26N2O3/c1-14-9-18(15(2)26-14)21(24)23-10-17(13-25-12-16-6-7-16)19(11-23)20-5-3-4-8-22-20/h3-5,8-9,16-17,19H,6-7,10-13H2,1-2H3
InChIKeyUPGDIHXGTFNRSX-UHFFFAOYSA-N
XLogP3.57
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-cyclopentylacetyl)-4-pyridin-2-ylpyrrolidin-3-yl]methoxy]-N-methylacetamide
CID 156611551
2-[1-(2,5-dimethylfuran-3-carbonyl)azetidin-3-yl]oxypyridine-3-carbonitrile
CID 122249209
[(5R,9R)-9-(cyclopropylmethoxymethyl)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 97478003
(3,4-dimethylphenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 110203371
1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4285066
2-ethoxy-1-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 110203331
1-(2,5-dimethylfuran-3-carbonyl)-4-pyridin-4-ylpyrrolidine-3-carboxylic acid
CID 78086001
(2-chloro-5-fluorophenyl)-[(3S,4S)-3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 110203332
[3-(cyclopropylmethoxymethyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 156611367
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 96578463
[4-[(6-cyclobutylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 134161159
[3-(hydroxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
CID 156611412

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The IUPAC name of [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone (CID 156611517) is [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone.
What is the SMILES notation for [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The canonical SMILES for [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is Cc1cc(C(=O)N2CC(COCC3CC3)C(c3ccccn3)C2)c(C)o1.
What is the InChIKey of [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
The InChIKey is UPGDIHXGTFNRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-9-18(15(2)26-14)21(24)23-10-17(13-25-12-16-6-7-16)19(11-23)20-5-3-4-8-22-20/h3-5,8-9,16-17,19H,6-7,10-13H2,1-2H3.
What are the key properties of [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone?
[3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone has a molecular weight of 354.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethoxymethyl)-4-pyridin-2-ylpyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone is sourced from PubChem (CID 156611517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).