2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine

C16H20N2O — CID 56905779

IUPAC2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine
SMILESCCCc1ccc(CN2CC(c3ccccn3)C2)o1
InChIInChI=1S/C16H20N2O/c1-2-5-14-7-8-15(19-14)12-18-10-13(11-18)16-6-3-4-9-17-16/h3-4,6-9,13H,2,5,10-12H2,1H3
InChIKeyVWMSGBKBXXCCAO-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.23
Rot. Bonds5

About 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine

2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine (PubChem CID 56905779) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine
PubChem CID56905779
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine
SMILESCCCc1ccc(CN2CC(c3ccccn3)C2)o1
InChIInChI=1S/C16H20N2O/c1-2-5-14-7-8-15(19-14)12-18-10-13(11-18)16-6-3-4-9-17-16/h3-4,6-9,13H,2,5,10-12H2,1H3
InChIKeyVWMSGBKBXXCCAO-UHFFFAOYSA-N
XLogP3.23
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R,4R)-3-hydroxy-1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 70783420
1-[(5-propylfuran-2-yl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 77079403
3,5-dimethyl-1-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyrazole
CID 77088978
(3aR,6aS)-5-[(5-ethylfuran-2-yl)methyl]-3-(2-pyridin-2-ylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
CID 133135505
2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine
CID 91836527
(3R)-N,N-dimethyl-1-[(5-propylfuran-2-yl)methyl]piperidin-3-amine
CID 99946183
(3S,4S)-4-(hydroxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidin-3-ol
CID 133125674
3-(4-methylphenyl)-5-[(3-pyridin-2-ylazetidin-1-yl)methyl]-1,2,4-oxadiazole
CID 118785977
4-ethyl-2-methyl-5-[1-[(5-propylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-one
CID 56710617
N,N-dimethyl-1-[4-methyl-5-[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 70733045
N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 79184609
N,N-dimethyl-1-[4-[(5-propylfuran-2-yl)methyl]-1,4-oxazepan-6-yl]methanamine
CID 56914710

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine?
The IUPAC name of 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine (CID 56905779) is 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine.
What is the SMILES notation for 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine?
The canonical SMILES for 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine is CCCc1ccc(CN2CC(c3ccccn3)C2)o1.
What is the InChIKey of 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine?
The InChIKey is VWMSGBKBXXCCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-5-14-7-8-15(19-14)12-18-10-13(11-18)16-6-3-4-9-17-16/h3-4,6-9,13H,2,5,10-12H2,1H3.
What are the key properties of 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine?
2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine has a molecular weight of 256.35 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine is sourced from PubChem (CID 56905779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).