2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C17H20N4O2 — CID 126799326

IUPAC2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCC(NCc2cc(=O)n3ccccc3n2)C2(CCC2)N1
InChIInChI=1S/C17H20N4O2/c22-15-6-5-13(17(20-15)7-3-8-17)18-11-12-10-16(23)21-9-2-1-4-14(21)19-12/h1-2,4,9-10,13,18H,3,5-8,11H2,(H,20,22)
InChIKeyGOKZTBXBNLPQML-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.99
Rot. Bonds3

About 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 126799326) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID126799326
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CCC(NCc2cc(=O)n3ccccc3n2)C2(CCC2)N1
InChIInChI=1S/C17H20N4O2/c22-15-6-5-13(17(20-15)7-3-8-17)18-11-12-10-16(23)21-9-2-1-4-14(21)19-12/h1-2,4,9-10,13,18H,3,5-8,11H2,(H,20,22)
InChIKeyGOKZTBXBNLPQML-UHFFFAOYSA-N
XLogP0.99
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 126799326) is 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1CCC(NCc2cc(=O)n3ccccc3n2)C2(CCC2)N1.
What is the InChIKey of 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GOKZTBXBNLPQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-15-6-5-13(17(20-15)7-3-8-17)18-11-12-10-16(23)21-9-2-1-4-14(21)19-12/h1-2,4,9-10,13,18H,3,5-8,11H2,(H,20,22).
What are the key properties of 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 312.37 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 126799326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).