4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

C18H20N4O2 — CID 166866105

IUPAC4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CCC3)CC2)c2nc(CO)ccc2[nH]c1=O
InChIInChI=1S/C18H20N4O2/c19-10-13-16(22-8-6-18(7-9-22)4-1-5-18)15-14(21-17(13)24)3-2-12(11-23)20-15/h2-3,23H,1,4-9,11H2,(H,21,24)
InChIKeyYFKJBRYIUYUEPB-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.06
Rot. Bonds2

About 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 166866105) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID166866105
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CCC3)CC2)c2nc(CO)ccc2[nH]c1=O
InChIInChI=1S/C18H20N4O2/c19-10-13-16(22-8-6-18(7-9-22)4-1-5-18)15-14(21-17(13)24)3-2-12(11-23)20-15/h2-3,23H,1,4-9,11H2,(H,21,24)
InChIKeyYFKJBRYIUYUEPB-UHFFFAOYSA-N
XLogP2.06
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 166866105) is 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is N#Cc1c(N2CCC3(CCC3)CC2)c2nc(CO)ccc2[nH]c1=O.
What is the InChIKey of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is YFKJBRYIUYUEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-10-13-16(22-8-6-18(7-9-22)4-1-5-18)15-14(21-17(13)24)3-2-12(11-23)20-15/h2-3,23H,1,4-9,11H2,(H,21,24).
What are the key properties of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 324.38 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 166866105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).