2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one

C18H26N2O5 — CID 154569215

IUPAC2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)O1
InChIInChI=1S/C18H26N2O5/c1-3-13-8-12(21)10-18(25-13)4-6-20(7-5-18)17(23)14-9-15(22)16(24-2)11-19-14/h9,11-13,21H,3-8,10H2,1-2H3,(H,19,22)/t12-,13+/m1/s1
InChIKeySAWFNODHBVYHKJ-OLZOCXBDSA-N
MW350.42 g/mol
LogP1.31
Rot. Bonds3

About 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one

2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 154569215) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one
PubChem CID154569215
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)O1
InChIInChI=1S/C18H26N2O5/c1-3-13-8-12(21)10-18(25-13)4-6-20(7-5-18)17(23)14-9-15(22)16(24-2)11-19-14/h9,11-13,21H,3-8,10H2,1-2H3,(H,19,22)/t12-,13+/m1/s1
InChIKeySAWFNODHBVYHKJ-OLZOCXBDSA-N
XLogP1.31
TPSA91.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one (CID 154569215) is 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one is CC[C@H]1C[C@@H](O)CC2(CCN(C(=O)c3cc(=O)c(OC)c[nH]3)CC2)O1.
What is the InChIKey of 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is SAWFNODHBVYHKJ-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-3-13-8-12(21)10-18(25-13)4-6-20(7-5-18)17(23)14-9-15(22)16(24-2)11-19-14/h9,11-13,21H,3-8,10H2,1-2H3,(H,19,22)/t12-,13+/m1/s1.
What are the key properties of 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one?
2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 350.42 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 154569215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).