4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C18H20N4O2 — CID 155467674

IUPAC4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCC1(O)CC2(CCN(c3c(C#N)c(=O)[nH]c4cnccc34)CC2)C1
InChIInChI=1S/C18H20N4O2/c1-17(24)10-18(11-17)3-6-22(7-4-18)15-12-2-5-20-9-14(12)21-16(23)13(15)8-19/h2,5,9,24H,3-4,6-7,10-11H2,1H3,(H,21,23)
InChIKeyGZOPLUOBXYFRGQ-UHFFFAOYSA-N
MW324.38 g/mol
LogP1.93
Rot. Bonds1

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

4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 155467674) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID155467674
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCC1(O)CC2(CCN(c3c(C#N)c(=O)[nH]c4cnccc34)CC2)C1
InChIInChI=1S/C18H20N4O2/c1-17(24)10-18(11-17)3-6-22(7-4-18)15-12-2-5-20-9-14(12)21-16(23)13(15)8-19/h2,5,9,24H,3-4,6-7,10-11H2,1H3,(H,21,23)
InChIKeyGZOPLUOBXYFRGQ-UHFFFAOYSA-N
XLogP1.93
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 155467674) is 4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is CC1(O)CC2(CCN(c3c(C#N)c(=O)[nH]c4cnccc34)CC2)C1.
What is the InChIKey of 4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is GZOPLUOBXYFRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-17(24)10-18(11-17)3-6-22(7-4-18)15-12-2-5-20-9-14(12)21-16(23)13(15)8-19/h2,5,9,24H,3-4,6-7,10-11H2,1H3,(H,21,23).
What are the key properties of 4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 324.38 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155467674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).