[1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

C19H20N4O5 — CID 71153089

IUPAC[1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESN#Cc1cnc2ccc(=O)n(CC(O)C34CCC(NC(=O)O)(CC3)CO4)c2c1
InChIInChI=1S/C19H20N4O5/c20-8-12-7-14-13(21-9-12)1-2-16(25)23(14)10-15(24)19-5-3-18(4-6-19,11-28-19)22-17(26)27/h1-2,7,9,15,22,24H,3-6,10-11H2,(H,26,27)
InChIKeyHAOMFTSOJNSTML-UHFFFAOYSA-N
MW384.39 g/mol
LogP0.98
Rot. Bonds4

About [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid

[1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (PubChem CID 71153089) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
PubChem CID71153089
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name[1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid
SMILESN#Cc1cnc2ccc(=O)n(CC(O)C34CCC(NC(=O)O)(CC3)CO4)c2c1
InChIInChI=1S/C19H20N4O5/c20-8-12-7-14-13(21-9-12)1-2-16(25)23(14)10-15(24)19-5-3-18(4-6-19,11-28-19)22-17(26)27/h1-2,7,9,15,22,24H,3-6,10-11H2,(H,26,27)
InChIKeyHAOMFTSOJNSTML-UHFFFAOYSA-N
XLogP0.98
TPSA137.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The IUPAC name of [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid (CID 71153089) is [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The canonical SMILES for [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is N#Cc1cnc2ccc(=O)n(CC(O)C34CCC(NC(=O)O)(CC3)CO4)c2c1.
What is the InChIKey of [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
The InChIKey is HAOMFTSOJNSTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c20-8-12-7-14-13(21-9-12)1-2-16(25)23(14)10-15(24)19-5-3-18(4-6-19,11-28-19)22-17(26)27/h1-2,7,9,15,22,24H,3-6,10-11H2,(H,26,27).
What are the key properties of [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid?
[1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid has a molecular weight of 384.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(7-cyano-2-oxo-1,5-naphthyridin-1-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]octan-4-yl]carbamic acid is sourced from PubChem (CID 71153089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).