4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

C18H20N4O — CID 155019351

IUPAC4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CCCCC3)C2)c2ncccc2[nH]c1=O
InChIInChI=1S/C18H20N4O/c19-11-13-16(15-14(21-17(13)23)5-4-9-20-15)22-10-8-18(12-22)6-2-1-3-7-18/h4-5,9H,1-3,6-8,10,12H2,(H,21,23)
InChIKeyVYBSHKFUETXVIG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.96
Rot. Bonds1

About 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 155019351) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID155019351
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CCCCC3)C2)c2ncccc2[nH]c1=O
InChIInChI=1S/C18H20N4O/c19-11-13-16(15-14(21-17(13)23)5-4-9-20-15)22-10-8-18(12-22)6-2-1-3-7-18/h4-5,9H,1-3,6-8,10,12H2,(H,21,23)
InChIKeyVYBSHKFUETXVIG-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 155019351) is 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is N#Cc1c(N2CCC3(CCCCC3)C2)c2ncccc2[nH]c1=O.
What is the InChIKey of 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is VYBSHKFUETXVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c19-11-13-16(15-14(21-17(13)23)5-4-9-20-15)22-10-8-18(12-22)6-2-1-3-7-18/h4-5,9H,1-3,6-8,10,12H2,(H,21,23).
What are the key properties of 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azaspiro[4.5]decan-2-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155019351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).