[1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

C20H25N3O5 — CID 71151030

IUPAC[1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCOc1ccc2c(n1)c(CCC13CCC(NC(=O)O)(CC1)CO3)cc(=O)n2C
InChIInChI=1S/C20H25N3O5/c1-23-14-3-4-15(27-2)21-17(14)13(11-16(23)24)5-6-20-9-7-19(8-10-20,12-28-20)22-18(25)26/h3-4,11,22H,5-10,12H2,1-2H3,(H,25,26)
InChIKeyFMLKJULOJVDVHL-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.22
Rot. Bonds5

About [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

[1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (PubChem CID 71151030) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
PubChem CID71151030
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name[1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESCOc1ccc2c(n1)c(CCC13CCC(NC(=O)O)(CC1)CO3)cc(=O)n2C
InChIInChI=1S/C20H25N3O5/c1-23-14-3-4-15(27-2)21-17(14)13(11-16(23)24)5-6-20-9-7-19(8-10-20,12-28-20)22-18(25)26/h3-4,11,22H,5-10,12H2,1-2H3,(H,25,26)
InChIKeyFMLKJULOJVDVHL-UHFFFAOYSA-N
XLogP2.22
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The IUPAC name of [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (CID 71151030) is [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is COc1ccc2c(n1)c(CCC13CCC(NC(=O)O)(CC1)CO3)cc(=O)n2C.
What is the InChIKey of [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The InChIKey is FMLKJULOJVDVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-23-14-3-4-15(27-2)21-17(14)13(11-16(23)24)5-6-20-9-7-19(8-10-20,12-28-20)22-18(25)26/h3-4,11,22H,5-10,12H2,1-2H3,(H,25,26).
What are the key properties of [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
[1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid has a molecular weight of 387.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(6-methoxy-1-methyl-2-oxo-1,5-naphthyridin-4-yl)ethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is sourced from PubChem (CID 71151030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).