4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine

C21H22N2O — CID 95127720

IUPAC4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine
SMILESCc1ccccc1-c1cc([C@H]2CCN(Cc3ccco3)C2)ccn1
InChIInChI=1S/C21H22N2O/c1-16-5-2-3-7-20(16)21-13-17(8-10-22-21)18-9-11-23(14-18)15-19-6-4-12-24-19/h2-8,10,12-13,18H,9,11,14-15H2,1H3/t18-/m0/s1
InChIKeyGQZPGQTVQCMICQ-SFHVURJKSA-N
MW318.42 g/mol
LogP4.64
Rot. Bonds4

About 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine

4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine (PubChem CID 95127720) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine.

Molecular Properties

Compound Name4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine
PubChem CID95127720
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine
SMILESCc1ccccc1-c1cc([C@H]2CCN(Cc3ccco3)C2)ccn1
InChIInChI=1S/C21H22N2O/c1-16-5-2-3-7-20(16)21-13-17(8-10-22-21)18-9-11-23(14-18)15-19-6-4-12-24-19/h2-8,10,12-13,18H,9,11,14-15H2,1H3/t18-/m0/s1
InChIKeyGQZPGQTVQCMICQ-SFHVURJKSA-N
XLogP4.64
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-N-[(1R)-1-(3-methyl-2-pyridinyl)ethyl]piperidin-4-amine
CID 125445625
3-ethyl-1-(furan-2-ylmethyl)pyrrolidine
CID 130727430
[5-[[3-(2-pyridin-3-yl-4-pyridinyl)pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 50963081
2-[5-[1-(furan-2-ylmethyl)piperidin-4-yl]-1H-1,2,4-triazol-3-yl]pyrazine
CID 53192293
1-(furan-2-ylmethyl)pyrrolidin-3-amine;dihydrochloride
CID 53422470
3-[4-[(3S)-1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]-2-pyridinyl]phenol
CID 95147375
5-[[(3R)-3-[2-(1-benzothiophen-3-yl)-4-pyridinyl]pyrrolidin-1-yl]methyl]pyrimidine
CID 95148833
1-(furan-2-ylmethyl)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine
CID 53192047
4-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136706410
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
4-[1-[1-(furan-2-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1-methylpyridin-2-one
CID 138380022
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine?
The IUPAC name of 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine (CID 95127720) is 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine.
What is the SMILES notation for 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine?
The canonical SMILES for 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine is Cc1ccccc1-c1cc([C@H]2CCN(Cc3ccco3)C2)ccn1.
What is the InChIKey of 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine?
The InChIKey is GQZPGQTVQCMICQ-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22N2O/c1-16-5-2-3-7-20(16)21-13-17(8-10-22-21)18-9-11-23(14-18)15-19-6-4-12-24-19/h2-8,10,12-13,18H,9,11,14-15H2,1H3/t18-/m0/s1.
What are the key properties of 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine?
4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine has a molecular weight of 318.42 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]-2-(2-methylphenyl)pyridine is sourced from PubChem (CID 95127720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).