3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine

C16H20N2O — CID 124742750

IUPAC3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine
SMILESCc1ccc([C@@H]2CCCN2CCc2cccnc2)o1
InChIInChI=1S/C16H20N2O/c1-13-6-7-16(19-13)15-5-3-10-18(15)11-8-14-4-2-9-17-12-14/h2,4,6-7,9,12,15H,3,5,8,10-11H2,1H3/t15-/m0/s1
InChIKeyYFNLAGSKNXOMNQ-HNNXBMFYSA-N
MW256.35 g/mol
LogP3.36
Rot. Bonds4

About 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine

3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine (PubChem CID 124742750) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine
PubChem CID124742750
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine
SMILESCc1ccc([C@@H]2CCCN2CCc2cccnc2)o1
InChIInChI=1S/C16H20N2O/c1-13-6-7-16(19-13)15-5-3-10-18(15)11-8-14-4-2-9-17-12-14/h2,4,6-7,9,12,15H,3,5,8,10-11H2,1H3/t15-/m0/s1
InChIKeyYFNLAGSKNXOMNQ-HNNXBMFYSA-N
XLogP3.36
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Methyl(5-(pyridin-3-YL)furan-2-YL)methanamine
CID 11229234
(5-Pyridin-3-ylfuran-2-yl)methanamine
CID 11332763
N,N-Dimethyl(5-(pyridin-3-YL)furan-2-YL)methanamine
CID 11171679
3-Furan-2-yl-5-((S)-1-methyl-pyrrolidin-2-ylmethoxy)-pyridine
CID 15480239
(2Z)-2-[1-[5-(1H-pyrrol-2-yl)-2-furyl]ethylidene]pyrrole
CID 10777789
3-(Furan-2-yl)pyridine
CID 11137298
[5-(4-Fluoro-phenyl)-furan-2-ylmethyl]-pyridin-2-ylmethyl-amine
CID 6464045
N-ethyl-5-methyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 6468617
2-[1-[(5-Methyl-2-furyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-2-yl]ethanol
CID 16189959
6-[5-(4-Carbamimidoylphenyl)-2-furyl]pyridine-3-carboxamidine
CID 9817976
6-[5-[(4-Carbamimidoylphenyl)methyl]furan-2-yl]pyridine-3-carboximidamide
CID 10022614
6-[5-(5-Carbamimidoyl-2-pyridyl)-2-furyl]pyridine-3-carboxamidine
CID 10870488

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine?
The IUPAC name of 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine (CID 124742750) is 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine.
What is the SMILES notation for 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine?
The canonical SMILES for 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine is Cc1ccc([C@@H]2CCCN2CCc2cccnc2)o1.
What is the InChIKey of 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine?
The InChIKey is YFNLAGSKNXOMNQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-13-6-7-16(19-13)15-5-3-10-18(15)11-8-14-4-2-9-17-12-14/h2,4,6-7,9,12,15H,3,5,8,10-11H2,1H3/t15-/m0/s1.
What are the key properties of 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine?
3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine is sourced from PubChem (CID 124742750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).