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

C17H20N4O2 — CID 129344657

IUPAC2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@@H](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)/t13-/m1/s1
InChIKeyGOKZTBXBNLPQML-CYBMUJFWSA-N
MW312.37 g/mol
LogP0.99
Rot. Bonds3

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

2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 129344657) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID129344657
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=C1CC[C@@H](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)/t13-/m1/s1
InChIKeyGOKZTBXBNLPQML-CYBMUJFWSA-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-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

N-hexyl-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 56250326
N-(3-methylbutan-2-yl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-4-carboxamide
CID 56358437
2-[[(6-Oxopiperidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 63663349
2-{[(4aS*,8aR*)-1-[2-(methylamino)ethyl]-2-oxooctahydro-1,6-naphthyridin-6(2H)-yl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 70734724
N-[1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860956
N-(2-aminoethyl)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 119917162
N-ethyl-2-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-2-yl]acetamide
CID 126799109
2-[[(6-Oxo-5-azaspiro[3.5]nonan-9-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 126799326
2-[[(2,2-Dimethyl-6-oxopiperidin-3-yl)amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 126807772
2-[[4-(3-Cyclopentylpropanoyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 128926010
2-[[[(9S)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 129344658
(1R,2S,8S,11R,16S)-8-isopropyl-11-methyl-18-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-7,14,18-triazatricyclo[14.3.1.0~2,14~]icosane-6,13-dione
CID 154821063

Frequently Asked Questions

What is the IUPAC name of 2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 129344657) is 2-[[[(9R)-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-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is O=C1CC[C@@H](NCc2cc(=O)n3ccccc3n2)C2(CCC2)N1.
What is the InChIKey of 2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GOKZTBXBNLPQML-CYBMUJFWSA-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)/t13-/m1/s1.
What are the key properties of 2-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[(9R)-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-[[[(9R)-6-oxo-5-azaspiro[3.5]nonan-9-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 129344657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).