(2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone

C18H20N2O2 — CID 124874171

IUPAC(2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccoc2C2CC2)C1
InChIInChI=1S/C18H20N2O2/c1-12-9-16(14-3-2-7-19-10-14)20(11-12)18(21)15-6-8-22-17(15)13-4-5-13/h2-3,6-8,10,12-13,16H,4-5,9,11H2,1H3/t12-,16+/m1/s1
InChIKeyWQYOUPWGEPJGSN-WBMJQRKESA-N
MW296.37 g/mol
LogP3.78
Rot. Bonds3

About (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone

(2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone (PubChem CID 124874171) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone
PubChem CID124874171
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name(2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccoc2C2CC2)C1
InChIInChI=1S/C18H20N2O2/c1-12-9-16(14-3-2-7-19-10-14)20(11-12)18(21)15-6-8-22-17(15)13-4-5-13/h2-3,6-8,10,12-13,16H,4-5,9,11H2,1H3/t12-,16+/m1/s1
InChIKeyWQYOUPWGEPJGSN-WBMJQRKESA-N
XLogP3.78
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3-methoxy-2-nitrophenyl)-(4-methyl-2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 119035782
(3-methoxy-2-nitrophenyl)-[(2R,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone
CID 99842636
2-[ethyl-[3-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]cyclobutyl]amino]acetic acid
CID 122025640
N-(4-hydroxy-1-phenylbutyl)-4-methyl-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 146081354
3-(2,4-dimethylphenoxy)-1-[(2R,4S)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]propan-1-one
CID 99783146
(2-methylphenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110871555
4-[(4-methyl-2-pyridin-3-ylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122028137
N-(5-cyano-4-methyl-2-pyridin-3-ylpyrazol-3-yl)-2-cyclopropylfuran-3-carboxamide
CID 166230691
2-methyl-4-pyridin-3-ylpiperidine-1-carboxylic acid
CID 121267335
4-[2-(3-fluorophenyl)-4-methylpyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120692128
(4-amino-2-methylpyrimidin-5-yl)-[2-(3-methoxyphenyl)-4-methylpyrrolidin-1-yl]methanone
CID 166210263
(3-methylpyrrolidin-2-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 102777436

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone (CID 124874171) is (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone is C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)c2ccoc2C2CC2)C1.
What is the InChIKey of (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
The InChIKey is WQYOUPWGEPJGSN-WBMJQRKESA-N. The full InChI is InChI=1S/C18H20N2O2/c1-12-9-16(14-3-2-7-19-10-14)20(11-12)18(21)15-6-8-22-17(15)13-4-5-13/h2-3,6-8,10,12-13,16H,4-5,9,11H2,1H3/t12-,16+/m1/s1.
What are the key properties of (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone?
(2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone has a molecular weight of 296.37 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropylfuran-3-yl)-[(2S,4R)-4-methyl-2-pyridin-3-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 124874171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).