3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine

C20H25N3 — CID 155208156

IUPAC3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine
SMILESc1ccc(CN2C(CN3CCCC3)CC2c2cccnc2)cc1
InChIInChI=1S/C20H25N3/c1-2-7-17(8-3-1)15-23-19(16-22-11-4-5-12-22)13-20(23)18-9-6-10-21-14-18/h1-3,6-10,14,19-20H,4-5,11-13,15-16H2
InChIKeyQFPPTNVPEINWKL-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.49
Rot. Bonds5

About 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine

3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine (PubChem CID 155208156) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine
PubChem CID155208156
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine
SMILESc1ccc(CN2C(CN3CCCC3)CC2c2cccnc2)cc1
InChIInChI=1S/C20H25N3/c1-2-7-17(8-3-1)15-23-19(16-22-11-4-5-12-22)13-20(23)18-9-6-10-21-14-18/h1-3,6-10,14,19-20H,4-5,11-13,15-16H2
InChIKeyQFPPTNVPEINWKL-UHFFFAOYSA-N
XLogP3.49
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
3-(pyrrolidin-1-ylmethyl)pyridine;dihydrochloride
CID 119103446
(5R)-N,1-dibenzyl-5-pyridin-3-ylpyrrolidin-3-amine
CID 102052664
1-(1-benzyl-4-phenylazetidin-2-yl)-N-methylmethanamine
CID 155208326
trans-(1R,2S)-N-(piperidin-1-ylmethyl)-2-pyridin-3-ylcyclopropan-1-amine
CID 130430329
(1-benzylpiperidin-4-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120731808
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 40503258
3-(1-benzylsulfonylpyrrolidin-2-yl)pyridine
CID 42922078
3-[(2S)-1-[(4-nitrophenyl)methyl]piperidin-2-yl]pyridine
CID 40533269
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419

Frequently Asked Questions

What is the IUPAC name of 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine?
The IUPAC name of 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine (CID 155208156) is 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine?
The canonical SMILES for 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine is c1ccc(CN2C(CN3CCCC3)CC2c2cccnc2)cc1.
What is the InChIKey of 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine?
The InChIKey is QFPPTNVPEINWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-2-7-17(8-3-1)15-23-19(16-22-11-4-5-12-22)13-20(23)18-9-6-10-21-14-18/h1-3,6-10,14,19-20H,4-5,11-13,15-16H2.
What are the key properties of 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine?
3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine has a molecular weight of 307.44 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-benzyl-4-(pyrrolidin-1-ylmethyl)azetidin-2-yl]pyridine is sourced from PubChem (CID 155208156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).