(3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane

C20H25N3O3 — CID 97420040

IUPAC(3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
SMILESCOc1ncccc1CN1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1
InChIInChI=1S/C20H25N3O3/c1-24-19-16(5-4-9-22-19)12-23-10-7-20(15-23)11-18(14-26-20)25-13-17-6-2-3-8-21-17/h2-6,8-9,18H,7,10-15H2,1H3/t18-,20+/m1/s1
InChIKeyHHFAJLQMOLDOFN-QUCCMNQESA-N
MW355.44 g/mol
LogP2.44
Rot. Bonds6

About (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane

(3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97420040) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97420040
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane
SMILESCOc1ncccc1CN1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1
InChIInChI=1S/C20H25N3O3/c1-24-19-16(5-4-9-22-19)12-23-10-7-20(15-23)11-18(14-26-20)25-13-17-6-2-3-8-21-17/h2-6,8-9,18H,7,10-15H2,1H3/t18-,20+/m1/s1
InChIKeyHHFAJLQMOLDOFN-QUCCMNQESA-N
XLogP2.44
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane (CID 97420040) is (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane is COc1ncccc1CN1CC[C@]2(C[C@@H](OCc3ccccn3)CO2)C1.
What is the InChIKey of (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is HHFAJLQMOLDOFN-QUCCMNQESA-N. The full InChI is InChI=1S/C20H25N3O3/c1-24-19-16(5-4-9-22-19)12-23-10-7-20(15-23)11-18(14-26-20)25-13-17-6-2-3-8-21-17/h2-6,8-9,18H,7,10-15H2,1H3/t18-,20+/m1/s1.
What are the key properties of (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane?
(3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 355.44 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-3-(pyridin-2-ylmethoxy)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97420040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).