N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide

C11H9N3O3 — CID 43036246

IUPACN-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide
SMILESO=C(Nc1ncccc1O)c1ccc[n+]([O-])c1
InChIInChI=1S/C11H9N3O3/c15-9-4-1-5-12-10(9)13-11(16)8-3-2-6-14(17)7-8/h1-7,15H,(H,12,13,16)
InChIKeyVSLCNSXQRGWHHL-UHFFFAOYSA-N
MW231.21 g/mol
LogP0.67
Rot. Bonds2

About N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide

N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide (PubChem CID 43036246) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide
PubChem CID43036246
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC NameN-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide
SMILESO=C(Nc1ncccc1O)c1ccc[n+]([O-])c1
InChIInChI=1S/C11H9N3O3/c15-9-4-1-5-12-10(9)13-11(16)8-3-2-6-14(17)7-8/h1-7,15H,(H,12,13,16)
InChIKeyVSLCNSXQRGWHHL-UHFFFAOYSA-N
XLogP0.67
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(3-hydroxy-2-pyridinyl)pyridine-4-carboxamide
CID 30160671
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
N'-(1-oxidopyridin-1-ium-3-carbonyl)-2-phenoxypyridine-3-carbohydrazide
CID 10132580
N-(3-hydroxy-2-pyridinyl)-4-propan-2-ylbenzamide
CID 25333159
N-(2-ethoxyphenyl)-1-oxidopyridin-1-ium-3-carboxamide
CID 47097031
3-(dimethylamino)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160840
N'-methyl-1-oxidopyridin-1-ium-3-carbohydrazide
CID 95931565
N-(3-hydroxy-2-pyridinyl)-5-methylpyrazine-2-carboxamide
CID 135950880
N-(3-hydroxy-2-pyridinyl)-6-methylpyridine-2-carboxamide
CID 47152291
N-(3-hydroxy-2-pyridinyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24688048
N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide
CID 30159469
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide (CID 43036246) is N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide is O=C(Nc1ncccc1O)c1ccc[n+]([O-])c1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide?
The InChIKey is VSLCNSXQRGWHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-9-4-1-5-12-10(9)13-11(16)8-3-2-6-14(17)7-8/h1-7,15H,(H,12,13,16).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide?
N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide has a molecular weight of 231.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-1-oxidopyridin-1-ium-3-carboxamide is sourced from PubChem (CID 43036246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).