4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

C17H18N4O2 — CID 155019535

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2nc(CO)ccc2[nH]c1=O
InChIInChI=1S/C17H18N4O2/c18-9-12-15(21-7-5-17(3-4-17)6-8-21)14-13(20-16(12)23)2-1-11(10-22)19-14/h1-2,22H,3-8,10H2,(H,20,23)
InChIKeyGWZILVSTOCLXHP-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.67
Rot. Bonds2

About 4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 155019535) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID155019535
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2nc(CO)ccc2[nH]c1=O
InChIInChI=1S/C17H18N4O2/c18-9-12-15(21-7-5-17(3-4-17)6-8-21)14-13(20-16(12)23)2-1-11(10-22)19-14/h1-2,22H,3-8,10H2,(H,20,23)
InChIKeyGWZILVSTOCLXHP-UHFFFAOYSA-N
XLogP1.67
TPSA93.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(7-azaspiro[3.5]nonan-7-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 166866105
4-(6-azaspiro[2.5]octan-6-yl)-6-methyl-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019490
N-(2-aminoethyl)-8-(6-azaspiro[2.5]octan-6-yl)-7-cyano-6-oxo-5H-1,5-naphthyridine-2-carboxamide
CID 155019244
4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019364
6-acetyl-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155119085
4-(4,4-difluoropiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 166865983
6-(2-methoxyethoxy)-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 164708367
6-[cyclopropyl(hydroxy)methyl]-4-(4-methoxy-4-methylpiperidin-1-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 164708397
4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
CID 155019351
4-(6-azaspiro[2.5]octan-6-yl)-6-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 154993307
4-(7-azaspiro[3.5]nonan-7-yl)-6-(azetidin-1-yl)-1-[7-[3-cyano-6-(3-hydroxyazetidin-1-yl)-2-oxo-1H-1,5-naphthyridin-4-yl]-7-azaspiro[3.5]nonan-2-yl]-2-oxo-1,5-naphthyridine-3-carbonitrile
CID 155019536
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-6-oxo-N-(2-pyrrolidin-1-ylethyl)-5H-1,5-naphthyridine-2-carboxamide
CID 164708366

Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 155019535) is 4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is N#Cc1c(N2CCC3(CC2)CC3)c2nc(CO)ccc2[nH]c1=O.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is GWZILVSTOCLXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c18-9-12-15(21-7-5-17(3-4-17)6-8-21)14-13(20-16(12)23)2-1-11(10-22)19-14/h1-2,22H,3-8,10H2,(H,20,23).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
4-(6-azaspiro[2.5]octan-6-yl)-6-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 310.36 g/mol, XLogP of 1.67, 2 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-(hydroxymethyl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155019535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).