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

C19H23N3O2 — CID 68613299

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine
SMILESc1cc(OCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)ccn1
InChIInChI=1S/C19H23N3O2/c1-7-22-16(1)13-24-18-9-15(11-21-12-18)19-10-14(19)4-8-23-17-2-5-20-6-3-17/h2-3,5-6,9,11-12,14,16,19,22H,1,4,7-8,10,13H2/t14-,16-,19-/m0/s1
InChIKeyYGSRBJGGKGXQTH-QOKNQOGYSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds8

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine (PubChem CID 68613299) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine
PubChem CID68613299
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine
SMILESc1cc(OCC[C@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)ccn1
InChIInChI=1S/C19H23N3O2/c1-7-22-16(1)13-24-18-9-15(11-21-12-18)19-10-14(19)4-8-23-17-2-5-20-6-3-17/h2-3,5-6,9,11-12,14,16,19,22H,1,4,7-8,10,13H2/t14-,16-,19-/m0/s1
InChIKeyYGSRBJGGKGXQTH-QOKNQOGYSA-N
XLogP2.79
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine (CID 68613299) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine is c1cc(OCC[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,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine?
The InChIKey is YGSRBJGGKGXQTH-QOKNQOGYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-7-22-16(1)13-24-18-9-15(11-21-12-18)19-10-14(19)4-8-23-17-2-5-20-6-3-17/h2-3,5-6,9,11-12,14,16,19,22H,1,4,7-8,10,13H2/t14-,16-,19-/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(2-pyridin-4-yloxyethyl)cyclopropyl]pyridine has a molecular weight of 325.41 g/mol, XLogP of 2.79, 8 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-pyridin-4-yloxyethyl)cyclopropyl]pyridine is sourced from PubChem (CID 68613299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).