3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine

C22H29N3O2 — CID 68612151

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine
SMILESc1cc(CCCCOC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)ccn1
InChIInChI=1S/C22H29N3O2/c1(3-17-4-7-23-8-5-17)2-10-26-15-19-12-22(19)18-11-21(14-24-13-18)27-16-20-6-9-25-20/h4-5,7-8,11,13-14,19-20,22,25H,1-3,6,9-10,12,15-16H2/t19-,20+,22-/m1/s1
InChIKeyPWRBWSUSGUSVCB-RZUBCFFCSA-N
MW367.49 g/mol
LogP3.36
Rot. Bonds11

About 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine (PubChem CID 68612151) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine
PubChem CID68612151
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine
SMILESc1cc(CCCCOC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)ccn1
InChIInChI=1S/C22H29N3O2/c1(3-17-4-7-23-8-5-17)2-10-26-15-19-12-22(19)18-11-21(14-24-13-18)27-16-20-6-9-25-20/h4-5,7-8,11,13-14,19-20,22,25H,1-3,6,9-10,12,15-16H2/t19-,20+,22-/m1/s1
InChIKeyPWRBWSUSGUSVCB-RZUBCFFCSA-N
XLogP3.36
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pilavapadin
CID 118419773
2-[(1r,2s)-2-[5-[[(2s)-Azetidin-2-Yl]methoxy]pyridin-3-Yl]cyclopropyl]ethanol
CID 45254040
3-[(2s)-Azetidin-2-Ylmethoxy]-5-[(1s,2r)-2-(2-Methoxyethyl)cyclopropyl]pyridine
CID 56951495
3-[(2S)-2-amino-3,3-diphenylpropoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287639
3-[(2S)-2-amino-3-(naphthalen-2-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10309398
6-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}isoquinoline
CID 10428289
6-{5-[(2S)-2-amino-2-phenylethoxy]pyridin-3-yl}isoquinoline
CID 23644685
6-{5-[(2S)-2-amino-3-cyclohexylpropoxy]pyridin-3-yl}isoquinoline
CID 23647001
2-Phenoxy-3-(piperidin-4-yl)pyridine
CID 44133490
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1R,2S)-2-(2-methoxyethyl)cyclopropyl]pyridine
CID 56951497
5-phenyl-6-chloro-3-(2-(S)-azetidinylmethoxy)pyridine
CID 9839702
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-phenyl-pyridine
CID 9840916

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine (CID 68612151) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine is c1cc(CCCCOC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)ccn1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine?
The InChIKey is PWRBWSUSGUSVCB-RZUBCFFCSA-N. The full InChI is InChI=1S/C22H29N3O2/c1(3-17-4-7-23-8-5-17)2-10-26-15-19-12-22(19)18-11-21(14-24-13-18)27-16-20-6-9-25-20/h4-5,7-8,11,13-14,19-20,22,25H,1-3,6,9-10,12,15-16H2/t19-,20+,22-/m1/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine has a molecular weight of 367.49 g/mol, XLogP of 3.36, 11 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,2S)-2-(4-pyridin-4-ylbutoxymethyl)cyclopropyl]pyridine is sourced from PubChem (CID 68612151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).