4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid

C17H16N4O3 — CID 138518072

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2cc(C(=O)O)ncc2[nH]c1=O
InChIInChI=1S/C17H16N4O3/c18-8-11-14(21-5-3-17(1-2-17)4-6-21)10-7-12(16(23)24)19-9-13(10)20-15(11)22/h7,9H,1-6H2,(H,20,22)(H,23,24)
InChIKeyFYIAXMMZQGTMLG-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.87
Rot. Bonds2

About 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid

4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid (PubChem CID 138518072) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
PubChem CID138518072
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2cc(C(=O)O)ncc2[nH]c1=O
InChIInChI=1S/C17H16N4O3/c18-8-11-14(21-5-3-17(1-2-17)4-6-21)10-7-12(16(23)24)19-9-13(10)20-15(11)22/h7,9H,1-6H2,(H,20,22)(H,23,24)
InChIKeyFYIAXMMZQGTMLG-UHFFFAOYSA-N
XLogP1.87
TPSA110.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid (CID 138518072) is 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid is N#Cc1c(N2CCC3(CC2)CC3)c2cc(C(=O)O)ncc2[nH]c1=O.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
The InChIKey is FYIAXMMZQGTMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c18-8-11-14(21-5-3-17(1-2-17)4-6-21)10-7-12(16(23)24)19-9-13(10)20-15(11)22/h7,9H,1-6H2,(H,20,22)(H,23,24).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid?
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 138518072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).