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

C19H23N3O2 — CID 59371451

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine
SMILESc1ccc(COC[C@@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-5-21-16(3-1)12-23-11-15-8-19(15)14-7-18(10-20-9-14)24-13-17-4-6-22-17/h1-3,5,7,9-10,15,17,19,22H,4,6,8,11-13H2/t15-,17-,19+/m0/s1
InChIKeyQPWIUPDYUUCYIA-VDZJLULYSA-N
MW325.41 g/mol
LogP2.54
Rot. Bonds8

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine (PubChem CID 59371451) 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-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine
PubChem CID59371451
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine
SMILESc1ccc(COC[C@@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-5-21-16(3-1)12-23-11-15-8-19(15)14-7-18(10-20-9-14)24-13-17-4-6-22-17/h1-3,5,7,9-10,15,17,19,22H,4,6,8,11-13H2/t15-,17-,19+/m0/s1
InChIKeyQPWIUPDYUUCYIA-VDZJLULYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)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-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine (CID 59371451) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine is c1ccc(COC[C@@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)nc1.
What is the InChIKey of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine?
The InChIKey is QPWIUPDYUUCYIA-VDZJLULYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-5-21-16(3-1)12-23-11-15-8-19(15)14-7-18(10-20-9-14)24-13-17-4-6-22-17/h1-3,5,7,9-10,15,17,19,22H,4,6,8,11-13H2/t15-,17-,19+/m0/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2R)-2-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine has a molecular weight of 325.41 g/mol, XLogP of 2.54, 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-(pyridin-2-ylmethoxymethyl)cyclopropyl]pyridine is sourced from PubChem (CID 59371451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).