N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide

C16H17N3O2 — CID 136990779

IUPACN'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(OC2CCCc3ccccc32)cn1
InChIInChI=1S/C16H17N3O2/c17-16(19-20)14-9-8-12(10-18-14)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15,20H,3,5,7H2,(H2,17,19)
InChIKeyMBVQNWDVDQYCAH-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds3

About N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide

N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide (PubChem CID 136990779) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide
PubChem CID136990779
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide
SMILESN/C(=N/O)c1ccc(OC2CCCc3ccccc32)cn1
InChIInChI=1S/C16H17N3O2/c17-16(19-20)14-9-8-12(10-18-14)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15,20H,3,5,7H2,(H2,17,19)
InChIKeyMBVQNWDVDQYCAH-UHFFFAOYSA-N
XLogP2.63
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-cyclobutyloxy-N'-hydroxypyridine-2-carboximidamide
CID 136990877
N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
CID 43200026
N'-hydroxy-5-(2-methylcyclohexyl)oxypyridine-2-carboximidamide
CID 136967342
N'-hydroxy-5-(oxan-4-yloxy)pyridine-2-carboximidamide
CID 136990868
6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide
CID 43185027
6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazin-2-amine
CID 80646899
N'-hydroxy-5-(2-phenoxyethoxy)pyridine-2-carboximidamide
CID 136990781
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
CID 62859248
[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-5-yl]methanamine
CID 83188819
N'-hydroxy-2,2-dimethyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)butanimidamide
CID 77062747
N'-hydroxy-5-pyridin-3-yloxypyridine-2-carboximidamide
CID 136990827

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide (CID 136990779) is N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide is N/C(=N/O)c1ccc(OC2CCCc3ccccc32)cn1.
What is the InChIKey of N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide?
The InChIKey is MBVQNWDVDQYCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c17-16(19-20)14-9-8-12(10-18-14)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15,20H,3,5,7H2,(H2,17,19).
What are the key properties of N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide?
N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide has a molecular weight of 283.33 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-2-carboximidamide is sourced from PubChem (CID 136990779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).