bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium

C24H22N4O6 — CID 139038985

IUPACbis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium
SMILESNC(=O)c1ccc(O)cc1.NC(=O)c1ccc(O)cc1.[O-][n+]1ccc(-c2cc[n+]([O-])cc2)cc1
InChIInChI=1S/C10H8N2O2.2C7H7NO2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*8-7(10)5-1-3-6(9)4-2-5/h1-8H;2*1-4,9H,(H2,8,10)
InChIKeyGOHDVISFHGPIDY-UHFFFAOYSA-N
MW462.46 g/mol
LogP1.60
Rot. Bonds3

About bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium

bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium (PubChem CID 139038985) has the molecular formula C24H22N4O6 and a molecular weight of 462.46 g/mol. Its IUPAC name is bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium.

Molecular Properties

Compound Namebis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium
PubChem CID139038985
Molecular FormulaC24H22N4O6
Molecular Weight462.46 g/mol
Exact Mass462.15
IUPAC Namebis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium
SMILESNC(=O)c1ccc(O)cc1.NC(=O)c1ccc(O)cc1.[O-][n+]1ccc(-c2cc[n+]([O-])cc2)cc1
InChIInChI=1S/C10H8N2O2.2C7H7NO2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*8-7(10)5-1-3-6(9)4-2-5/h1-8H;2*1-4,9H,(H2,8,10)
InChIKeyGOHDVISFHGPIDY-UHFFFAOYSA-N
XLogP1.60
TPSA180.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.46
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-hydroxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
CID 5920835
4-hydroxy-N'-[(E)-pyridin-3-ylmethylidene]benzohydrazide
CID 6862721
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-pentyl-N-[(4-pyridin-3-ylphenyl)methyl]benzamide
CID 10302679
N-hydroxy-4-[(E)-2-[5-(2-hydroxyphenyl)-3-pyridinyl]ethenyl]benzamide
CID 166633963
4-hydroxy-N'-[(E)-phenyl(pyridin-3-yl)methylidene]benzohydrazide
CID 6260114
N-(dipyridin-2-ylmethylideneamino)-4-hydroxybenzamide
CID 10980072
(E)-1-(4-hydroxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-one
CID 16380269
4-Hydroxy-N~1~,N~3~-bis((pyridin-3-yl)methyl)benzene-1,3-dicarboximidic acid
CID 208689
N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(4-hydroxyphenyl)pyridine-4-carboxamide
CID 172439779
3-(3-Hydroxy-2,6-dimethylphenyl)-5-pyridin-4-ylbenzamide
CID 177642217
1-(4-Hydroxy-phenyl)-3-pyridin-3-yl-prop-2-en-1-one
CID 3780265
1-(4-Hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
CID 72167114

Frequently Asked Questions

What is the IUPAC name of bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium?
The IUPAC name of bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium (CID 139038985) is bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium.
What is the SMILES notation for bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium?
The canonical SMILES for bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium is NC(=O)c1ccc(O)cc1.NC(=O)c1ccc(O)cc1.[O-][n+]1ccc(-c2cc[n+]([O-])cc2)cc1.
What is the InChIKey of bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium?
The InChIKey is GOHDVISFHGPIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2.2C7H7NO2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;2*8-7(10)5-1-3-6(9)4-2-5/h1-8H;2*1-4,9H,(H2,8,10).
What are the key properties of bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium?
bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium has a molecular weight of 462.46 g/mol, XLogP of 1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-hydroxybenzamide);1-oxido-4-(1-oxidopyridin-1-ium-4-yl)pyridin-1-ium is sourced from PubChem (CID 139038985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).