N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide

C12H12N4O2 — CID 136967358

IUPACN'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide
SMILESCc1ncccc1Oc1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C12H12N4O2/c1-8-11(3-2-6-14-8)18-9-4-5-10(15-7-9)12(13)16-17/h2-7,17H,1H3,(H2,13,16)
InChIKeyKAAFUIQKVLYKTA-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.67
Rot. Bonds3

About N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide

N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide (PubChem CID 136967358) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide
PubChem CID136967358
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide
SMILESCc1ncccc1Oc1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C12H12N4O2/c1-8-11(3-2-6-14-8)18-9-4-5-10(15-7-9)12(13)16-17/h2-7,17H,1H3,(H2,13,16)
InChIKeyKAAFUIQKVLYKTA-UHFFFAOYSA-N
XLogP1.67
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-5-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827
5-(5-fluoro-2-methylphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136744770
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
5-(3,5-dimethoxyphenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990840
2-methyl-3-pyridin-3-yloxypyridine
CID 172764474
(1R)-1-[5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanol
CID 83125304
N'-hydroxy-3-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzenecarboximidamide
CID 107109864
5-(4-bromo-2-chlorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136990811
(1S)-1-[5-[(2-methyl-3-pyridinyl)oxy]-2-pyridinyl]propan-1-amine
CID 103938021
N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide
CID 136990781
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
5-(2-bromo-4-chloro-5-fluorophenoxy)-N'-hydroxypyridine-2-carboximidamide
CID 136730865

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide (CID 136967358) is N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide is Cc1ncccc1Oc1ccc(/C(N)=N/O)nc1.
What is the InChIKey of N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide?
The InChIKey is KAAFUIQKVLYKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-11(3-2-6-14-8)18-9-4-5-10(15-7-9)12(13)16-17/h2-7,17H,1H3,(H2,13,16).
What are the key properties of N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide?
N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide has a molecular weight of 244.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carboximidamide is sourced from PubChem (CID 136967358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).