(3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane

C19H23N3O2 — CID 97419866

IUPAC(3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESc1ccc(CO[C@@H]2CO[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-3-8-20-16(5-1)12-22-10-7-19(15-22)11-18(14-24-19)23-13-17-6-2-4-9-21-17/h1-6,8-9,18H,7,10-15H2/t18-,19-/m0/s1
InChIKeyGCCILUSHCCVNLT-OALUTQOASA-N
MW325.41 g/mol
LogP2.43
Rot. Bonds5

About (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane

(3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (PubChem CID 97419866) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name(3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
PubChem CID97419866
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane
SMILESc1ccc(CO[C@@H]2CO[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1
InChIInChI=1S/C19H23N3O2/c1-3-8-20-16(5-1)12-22-10-7-19(15-22)11-18(14-24-19)23-13-17-6-2-4-9-21-17/h1-6,8-9,18H,7,10-15H2/t18-,19-/m0/s1
InChIKeyGCCILUSHCCVNLT-OALUTQOASA-N
XLogP2.43
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane (CID 97419866) is (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is c1ccc(CO[C@@H]2CO[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1.
What is the InChIKey of (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
The InChIKey is GCCILUSHCCVNLT-OALUTQOASA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-8-20-16(5-1)12-22-10-7-19(15-22)11-18(14-24-19)23-13-17-6-2-4-9-21-17/h1-6,8-9,18H,7,10-15H2/t18-,19-/m0/s1.
What are the key properties of (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane?
(3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane has a molecular weight of 325.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-(pyridin-2-ylmethoxy)-7-(pyridin-2-ylmethyl)-1-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 97419866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).