4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

C15H14N4O — CID 155019364

IUPAC4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC3)C2)c2ncccc2[nH]c1=O
InChIInChI=1S/C15H14N4O/c16-8-10-13(19-7-5-15(9-19)3-4-15)12-11(18-14(10)20)2-1-6-17-12/h1-2,6H,3-5,7,9H2,(H,18,20)
InChIKeyBOJZEFSJYSAYDA-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.79
Rot. Bonds1

About 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile

4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (PubChem CID 155019364) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
PubChem CID155019364
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile
SMILESN#Cc1c(N2CCC3(CC3)C2)c2ncccc2[nH]c1=O
InChIInChI=1S/C15H14N4O/c16-8-10-13(19-7-5-15(9-19)3-4-15)12-11(18-14(10)20)2-1-6-17-12/h1-2,6H,3-5,7,9H2,(H,18,20)
InChIKeyBOJZEFSJYSAYDA-UHFFFAOYSA-N
XLogP1.79
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile (CID 155019364) is 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is N#Cc1c(N2CCC3(CC3)C2)c2ncccc2[nH]c1=O.
What is the InChIKey of 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
The InChIKey is BOJZEFSJYSAYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-8-10-13(19-7-5-15(9-19)3-4-15)12-11(18-14(10)20)2-1-6-17-12/h1-2,6H,3-5,7,9H2,(H,18,20).
What are the key properties of 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile?
4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-azaspiro[2.4]heptan-5-yl)-2-oxo-1H-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 155019364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).