3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one

C24H30GaN3O6 — CID 16687046

IUPAC3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one
SMILESCCCn1cccc(O[Ga](Oc2cccn(CCC)c2=O)Oc2cccn(CCC)c2=O)c1=O
InChIInChI=1S/3C8H11NO2.Ga/c3*1-2-5-9-6-3-4-7(10)8(9)11;/h3*3-4,6,10H,2,5H2,1H3;/q;;;+3/p-3
InChIKeyCNYAXXFCWDAXBT-UHFFFAOYSA-K
MW526.24 g/mol
LogP2.92
Rot. Bonds12

About 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one

3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one (PubChem CID 16687046) has the molecular formula C24H30GaN3O6 and a molecular weight of 526.24 g/mol. Its IUPAC name is 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one
PubChem CID16687046
Molecular FormulaC24H30GaN3O6
Molecular Weight526.24 g/mol
Exact Mass525.14
IUPAC Name3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one
SMILESCCCn1cccc(O[Ga](Oc2cccn(CCC)c2=O)Oc2cccn(CCC)c2=O)c1=O
InChIInChI=1S/3C8H11NO2.Ga/c3*1-2-5-9-6-3-4-7(10)8(9)11;/h3*3-4,6,10H,2,5H2,1H3;/q;;;+3/p-3
InChIKeyCNYAXXFCWDAXBT-UHFFFAOYSA-K
XLogP2.92
TPSA93.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethane;3-methyl-1-propylpyridin-2-one
CID 177013538
3-heptoxy-1-(2-hydroxyethyl)pyridin-2-one
CID 82150733
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-propylacetamide
CID 82056289
N-butyl-2-[[1-(3-hydroxypropyl)-2-oxo-3-pyridinyl]oxy]acetamide
CID 82150874
3-(3-ethoxy-2-oxo-1-pyridinyl)propanenitrile
CID 82143490
2-[[1-(3-aminopropyl)-2-oxo-3-pyridinyl]oxy]-N-butylacetamide
CID 82056257
N-methyl-2-(1-oxo-2-propylisoquinolin-5-yl)oxyacetamide
CID 7293222
3-(3-nonoxy-2-oxo-1-pyridinyl)propanoic acid
CID 98646565
1-[2-(4-aminophenoxy)ethyl]-3-propoxypyridin-2-one
CID 82151905
5-(3-heptoxy-2-oxo-1-pyridinyl)pentanoic acid
CID 98900242
3-bromo-1-dodecylpyridin-2-one
CID 114761270
1-(2-hydroxyethyl)-3-(3-hydroxypropoxy)pyridin-2-one
CID 82150744

Frequently Asked Questions

What is the IUPAC name of 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one?
The IUPAC name of 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one (CID 16687046) is 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one.
What is the SMILES notation for 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one?
The canonical SMILES for 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one is CCCn1cccc(O[Ga](Oc2cccn(CCC)c2=O)Oc2cccn(CCC)c2=O)c1=O.
What is the InChIKey of 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one?
The InChIKey is CNYAXXFCWDAXBT-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H11NO2.Ga/c3*1-2-5-9-6-3-4-7(10)8(9)11;/h3*3-4,6,10H,2,5H2,1H3;/q;;;+3/p-3.
What are the key properties of 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one?
3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one has a molecular weight of 526.24 g/mol, XLogP of 2.92, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[(2-oxo-1-propyl-3-pyridinyl)oxy]gallanyloxy]-1-propylpyridin-2-one is sourced from PubChem (CID 16687046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).