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

C16H16N4O — CID 138518314

IUPAC4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2ccncc2[nH]c1=O
InChIInChI=1S/C16H16N4O/c17-9-12-14(20-7-4-16(2-3-16)5-8-20)11-1-6-18-10-13(11)19-15(12)21/h1,6,10H,2-5,7-8H2,(H,19,21)
InChIKeyLGZFQNJXGXCQLM-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.18
Rot. Bonds1

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

4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (PubChem CID 138518314) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
PubChem CID138518314
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC2)CC3)c2ccncc2[nH]c1=O
InChIInChI=1S/C16H16N4O/c17-9-12-14(20-7-4-16(2-3-16)5-8-20)11-1-6-18-10-13(11)19-15(12)21/h1,6,10H,2-5,7-8H2,(H,19,21)
InChIKeyLGZFQNJXGXCQLM-UHFFFAOYSA-N
XLogP2.18
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile (CID 138518314) is 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is N#Cc1c(N2CCC3(CC2)CC3)c2ccncc2[nH]c1=O.
What is the InChIKey of 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is LGZFQNJXGXCQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-9-12-14(20-7-4-16(2-3-16)5-8-20)11-1-6-18-10-13(11)19-15(12)21/h1,6,10H,2-5,7-8H2,(H,19,21).
What are the key properties of 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile?
4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 280.33 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[2.5]octan-6-yl)-2-oxo-1H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 138518314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).