2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine

C23H25N3O2 — CID 75168438

IUPAC2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine
SMILESc1ccc(COCCc2ccnc(-c3cncc(OCC4CCN4)c3)c2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-4-19(5-3-1)16-27-11-8-18-6-9-26-23(12-18)20-13-22(15-24-14-20)28-17-21-7-10-25-21/h1-6,9,12-15,21,25H,7-8,10-11,16-17H2
InChIKeyWNEOEUMBVHBWRW-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.64
Rot. Bonds9

About 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine

2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine (PubChem CID 75168438) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine.

Molecular Properties

Compound Name2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine
PubChem CID75168438
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine
SMILESc1ccc(COCCc2ccnc(-c3cncc(OCC4CCN4)c3)c2)cc1
InChIInChI=1S/C23H25N3O2/c1-2-4-19(5-3-1)16-27-11-8-18-6-9-26-23(12-18)20-13-22(15-24-14-20)28-17-21-7-10-25-21/h1-6,9,12-15,21,25H,7-8,10-11,16-17H2
InChIKeyWNEOEUMBVHBWRW-UHFFFAOYSA-N
XLogP3.64
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(2S)-azetidin-2-yl]methoxy]-5-phenylpyridine
CID 22872635
2-[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]ethanol;hydrochloride
CID 68613292
[3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]ethyl]phenyl]methanol;hydrochloride
CID 68611909
3-[5-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-3-pyridinyl]propan-1-ol
CID 75168462
3-(azetidin-2-ylmethoxy)-5-[2-(3-ethylphenyl)ethyl]pyridine
CID 90726650
(2S)-2-(phenylmethoxymethyl)azetidine
CID 86324293
3-[3-[5-(pyrrolidin-2-ylmethoxy)-3-pyridinyl]phenyl]propan-1-ol
CID 59371346
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine
CID 68611505
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[3-[(4-chlorophenyl)methoxy]propoxy]ethyl]cyclopropyl]pyridine
CID 68613042
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]pyridine
CID 59371464
3-[2-(4-phenylmethoxybutyl)piperidin-1-yl]-5-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine
CID 68612964
(2R)-2-[[3-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]phenyl]methyl]-1,2,3,4-tetrahydroquinoline
CID 59371322

Frequently Asked Questions

What is the IUPAC name of 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine?
The IUPAC name of 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine (CID 75168438) is 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine.
What is the SMILES notation for 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine?
The canonical SMILES for 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine is c1ccc(COCCc2ccnc(-c3cncc(OCC4CCN4)c3)c2)cc1.
What is the InChIKey of 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine?
The InChIKey is WNEOEUMBVHBWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-4-19(5-3-1)16-27-11-8-18-6-9-26-23(12-18)20-13-22(15-24-14-20)28-17-21-7-10-25-21/h1-6,9,12-15,21,25H,7-8,10-11,16-17H2.
What are the key properties of 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine?
2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine has a molecular weight of 375.47 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine is sourced from PubChem (CID 75168438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).