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

C19H23N5O — CID 138518026

IUPAC4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCN(C)c1cc2c(N3CCC4(CCC4)CC3)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C19H23N5O/c1-23(2)16-10-13-15(12-21-16)22-18(25)14(11-20)17(13)24-8-6-19(7-9-24)4-3-5-19/h10,12H,3-9H2,1-2H3,(H,22,25)
InChIKeyYETRDDMTTQAQNM-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.63
Rot. Bonds2

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

4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518026) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518026
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESCN(C)c1cc2c(N3CCC4(CCC4)CC3)c(C#N)c(=O)[nH]c2cn1
InChIInChI=1S/C19H23N5O/c1-23(2)16-10-13-15(12-21-16)22-18(25)14(11-20)17(13)24-8-6-19(7-9-24)4-3-5-19/h10,12H,3-9H2,1-2H3,(H,22,25)
InChIKeyYETRDDMTTQAQNM-UHFFFAOYSA-N
XLogP2.63
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518196
6-(aminomethyl)-4-(7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 146473362
4-(6-azaspiro[2.5]octan-6-yl)-3-cyano-N-ethyl-2-oxo-1H-1,7-naphthyridine-6-carboxamide
CID 155032193
4-(6-azaspiro[2.5]octan-6-yl)-6-(4-methylpiperazine-1-carbonyl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518525
4-(4-methoxy-4-methylpiperidin-1-yl)-6-methyl-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 138518550
4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 154993307
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-6-carboxylic acid;6-formyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 165003728
4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 166866105
6-acetyl-4-(7-azaspiro[3.5]nonan-7-yl)-3-methyl-1H-1,7-naphthyridin-2-one
CID 155024133
4-(2-hydroxy-2-methyl-7-azaspiro[3.5]nonan-7-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
CID 155467674
4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019490
3-cyano-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)-1H-1,7-naphthyridine-6-carboxamide
CID 138518224

Frequently Asked Questions

What is the IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518026) is 4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is CN(C)c1cc2c(N3CCC4(CCC4)CC3)c(C#N)c(=O)[nH]c2cn1.
What is the InChIKey of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is YETRDDMTTQAQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-23(2)16-10-13-15(12-21-16)22-18(25)14(11-20)17(13)24-8-6-19(7-9-24)4-3-5-19/h10,12H,3-9H2,1-2H3,(H,22,25).
What are the key properties of 4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(7-azaspiro[3.5]nonan-7-yl)-6-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 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-(dimethylamino)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).