4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine

C20H22N2O — CID 67533472

IUPAC4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine
SMILESC[C@@H]1CCCN1CCc1cc2ccc(-c3ccncc3)cc2o1
InChIInChI=1S/C20H22N2O/c1-15-3-2-11-22(15)12-8-19-13-18-5-4-17(14-20(18)23-19)16-6-9-21-10-7-16/h4-7,9-10,13-15H,2-3,8,11-12H2,1H3/t15-/m1/s1
InChIKeyFUDDLYFJGTYJSZ-OAHLLOKOSA-N
MW306.41 g/mol
LogP4.52
Rot. Bonds4

About 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine

4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine (PubChem CID 67533472) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine.

Molecular Properties

Compound Name4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine
PubChem CID67533472
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine
SMILESC[C@@H]1CCCN1CCc1cc2ccc(-c3ccncc3)cc2o1
InChIInChI=1S/C20H22N2O/c1-15-3-2-11-22(15)12-8-19-13-18-5-4-17(14-20(18)23-19)16-6-9-21-10-7-16/h4-7,9-10,13-15H,2-3,8,11-12H2,1H3/t15-/m1/s1
InChIKeyFUDDLYFJGTYJSZ-OAHLLOKOSA-N
XLogP4.52
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[5-(3,4-dimethylphenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 22274458
1-[2-[5-(3,4-dichlorophenyl)-1-benzofuran-2-yl]ethyl]-2-methylpyrrolidine
CID 22274451
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-carbonitrile
CID 67534035
2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-6-pyridin-4-ylquinoline
CID 10064429
4-[2-[2-[(2S)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 11255988
5-methyl-4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-2-(4-pyridin-4-ylphenyl)-1,3-oxazole
CID 58951438
methyl 4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]benzoate
CID 22274633
4-[6-methyl-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]benzonitrile
CID 67533834
CID 70819125
CID 70819125
1-[3-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-5-yl]phenyl]propan-2-one
CID 70002896
(4-methylphenyl)-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]methanone
CID 22274484
2,3-dihydroxybutanedioic acid;4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1-benzofuran-5-yl]benzonitrile
CID 72748659

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine?
The IUPAC name of 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine (CID 67533472) is 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine.
What is the SMILES notation for 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine?
The canonical SMILES for 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine is C[C@@H]1CCCN1CCc1cc2ccc(-c3ccncc3)cc2o1.
What is the InChIKey of 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine?
The InChIKey is FUDDLYFJGTYJSZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N2O/c1-15-3-2-11-22(15)12-8-19-13-18-5-4-17(14-20(18)23-19)16-6-9-21-10-7-16/h4-7,9-10,13-15H,2-3,8,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine?
4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine has a molecular weight of 306.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]-1-benzofuran-6-yl]pyridine is sourced from PubChem (CID 67533472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).