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

C19H23N3O2 — CID 59371689

IUPAC3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine
SMILESc1ccc(OCC[C@@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-6-22-19(3-1)23-8-5-14-10-18(14)15-9-17(12-20-11-15)24-13-16-4-7-21-16/h1-3,6,9,11-12,14,16,18,21H,4-5,7-8,10,13H2/t14-,16+,18+/m1/s1
InChIKeyDNRCKZOSDLAGFC-HFTRVMKXSA-N
MW325.41 g/mol
LogP2.79
Rot. Bonds8

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

3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine (PubChem CID 59371689) 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,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine.

Molecular Properties

Compound Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine
PubChem CID59371689
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine
SMILESc1ccc(OCC[C@@H]2C[C@@H]2c2cncc(OC[C@@H]3CCN3)c2)nc1
InChIInChI=1S/C19H23N3O2/c1-2-6-22-19(3-1)23-8-5-14-10-18(14)15-9-17(12-20-11-15)24-13-16-4-7-21-16/h1-3,6,9,11-12,14,16,18,21H,4-5,7-8,10,13H2/t14-,16+,18+/m1/s1
InChIKeyDNRCKZOSDLAGFC-HFTRVMKXSA-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,2S)-2-(2-pyridin-2-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,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine?
The IUPAC name of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine (CID 59371689) is 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine.
What is the SMILES notation for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine?
The canonical SMILES for 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine is c1ccc(OCC[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,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine?
The InChIKey is DNRCKZOSDLAGFC-HFTRVMKXSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-6-22-19(3-1)23-8-5-14-10-18(14)15-9-17(12-20-11-15)24-13-16-4-7-21-16/h1-3,6,9,11-12,14,16,18,21H,4-5,7-8,10,13H2/t14-,16+,18+/m1/s1.
What are the key properties of 3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine?
3-[[(2S)-azetidin-2-yl]methoxy]-5-[(1S,2S)-2-(2-pyridin-2-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,2S)-2-(2-pyridin-2-yloxyethyl)cyclopropyl]pyridine is sourced from PubChem (CID 59371689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).