4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

C20H24N4O2 — CID 138518084

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCC(C)C(O)c1cc2c(N3CCC4(CC3)CC4)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C20H24N4O2/c1-12(2)18(25)15-9-13-16(11-22-15)23-19(26)14(10-21)17(13)24-7-5-20(3-4-20)6-8-24/h9,11-12,18,25H,3-8H2,1-2H3,(H,23,26)
InChIKeyYBNHAWLDIYGHMM-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.86
Rot. Bonds3

About 4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile

4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518084) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518084
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCC(C)C(O)c1cc2c(N3CCC4(CC3)CC4)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C20H24N4O2/c1-12(2)18(25)15-9-13-16(11-22-15)23-19(26)14(10-21)17(13)24-7-5-20(3-4-20)6-8-24/h9,11-12,18,25H,3-8H2,1-2H3,(H,23,26)
InChIKeyYBNHAWLDIYGHMM-UHFFFAOYSA-N
XLogP2.86
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.86
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)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518084) is 4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is CC(C)C(O)c1cc2c(N3CCC4(CC3)CC4)c(C#N)c(=O)[nH]c2cn1.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is YBNHAWLDIYGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(2)18(25)15-9-13-16(11-22-15)23-19(26)14(10-21)17(13)24-7-5-20(3-4-20)6-8-24/h9,11-12,18,25H,3-8H2,1-2H3,(H,23,26).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(6-azaspiro[2.5]octan-6-yl)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 352.44 g/mol, XLogP of 2.86, 3 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)-6-(1-hydroxy-2-methylpropyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).