3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine

C22H28N2O3 — CID 68611505

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine
SMILESCOc1ccc(COCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)cc1
InChIInChI=1S/C22H28N2O3/c1-25-20-4-2-16(3-5-20)14-26-9-7-17-11-22(17)18-10-21(13-23-12-18)27-15-19-6-8-24-19/h2-5,10,12-13,17,19,22,24H,6-9,11,14-15H2,1H3/t17-,19-,22-/m0/s1
InChIKeyJJCJCVKNFVJJJY-JLMWRMLUSA-N
MW368.48 g/mol
LogP3.54
Rot. Bonds10

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine (PubChem CID 68611505) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine
PubChem CID68611505
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine
SMILESCOc1ccc(COCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)cc1
InChIInChI=1S/C22H28N2O3/c1-25-20-4-2-16(3-5-20)14-26-9-7-17-11-22(17)18-10-21(13-23-12-18)27-15-19-6-8-24-19/h2-5,10,12-13,17,19,22,24H,6-9,11,14-15H2,1H3/t17-,19-,22-/m0/s1
InChIKeyJJCJCVKNFVJJJY-JLMWRMLUSA-N
XLogP3.54
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.54
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-[(1S,2R)-2-[2-[3-[(4-chlorophenyl)methoxy]propoxy]ethyl]cyclopropyl]pyridine
CID 68613042
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-propylcyclopropyl]pyridine
CID 59371604
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-phenoxyethyl)cyclopropyl]pyridine
CID 59371464
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine
CID 68613299
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine
CID 59371689
[(1R,2S)-2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]methanol
CID 46190781
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-phenylsulfanylethyl)cyclopropyl]pyridine
CID 68613474
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine
CID 68612151
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine
CID 59371451
3-butoxy-5-[(1S,2R)-2-(2-methoxyethyl)cyclopropyl]pyridine
CID 70229825
N-[2-[(1S,2S)-2-[5-[[(2S)-pyrrolidin-2-yl]methoxy]-3-pyridinyl]cyclopropyl]ethyl]acetamide
CID 59371557
2-[5-(azetidin-2-ylmethoxy)-3-pyridinyl]-4-(2-phenylmethoxyethyl)pyridine
CID 75168438

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine (CID 68611505) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine is COc1ccc(COCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)cc1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine?
The InChIKey is JJCJCVKNFVJJJY-JLMWRMLUSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-25-20-4-2-16(3-5-20)14-26-9-7-17-11-22(17)18-10-21(13-23-12-18)27-15-19-6-8-24-19/h2-5,10,12-13,17,19,22,24H,6-9,11,14-15H2,1H3/t17-,19-,22-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine has a molecular weight of 368.48 g/mol, XLogP of 3.54, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-[2-[(4-methoxyphenyl)methoxy]ethyl]cyclopropyl]pyridine is sourced from PubChem (CID 68611505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).