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

C18H20N4O — CID 138518196

IUPAC4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCc1cc2c(N3CCC4(CCC4)CC3)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C18H20N4O/c1-12-9-13-15(11-20-12)21-17(23)14(10-19)16(13)22-7-5-18(6-8-22)3-2-4-18/h9,11H,2-8H2,1H3,(H,21,23)
InChIKeyUPGBJEXATQBXME-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.87
Rot. Bonds1

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

4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518196) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518196
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCc1cc2c(N3CCC4(CCC4)CC3)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C18H20N4O/c1-12-9-13-15(11-20-12)21-17(23)14(10-19)16(13)22-7-5-18(6-8-22)3-2-4-18/h9,11H,2-8H2,1H3,(H,21,23)
InChIKeyUPGBJEXATQBXME-UHFFFAOYSA-N
XLogP2.87
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518196) is 4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is Cc1cc2c(N3CCC4(CCC4)CC3)c(C#N)c(=O)[nH]c2cn1.
What is the InChIKey of 4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is UPGBJEXATQBXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12-9-13-15(11-20-12)21-17(23)14(10-19)16(13)22-7-5-18(6-8-22)3-2-4-18/h9,11H,2-8H2,1H3,(H,21,23).
What are the key properties of 4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).