N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide

C16H13N3O2 — CID 24709340

IUPACN'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1
InChIInChI=1S/C16H13N3O2/c17-16(19-20)13-6-8-15(18-10-13)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,20H,(H2,17,19)
InChIKeyDBPCWIRJXCUNSI-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.12
Rot. Bonds3

About N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide

N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide (PubChem CID 24709340) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide
PubChem CID24709340
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC NameN'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1
InChIInChI=1S/C16H13N3O2/c17-16(19-20)13-6-8-15(18-10-13)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,20H,(H2,17,19)
InChIKeyDBPCWIRJXCUNSI-UHFFFAOYSA-N
XLogP3.12
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.12
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide (CID 24709340) is N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide is N/C(=N\O)c1ccc(Oc2ccc3ccccc3c2)nc1.
What is the InChIKey of N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide?
The InChIKey is DBPCWIRJXCUNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c17-16(19-20)13-6-8-15(18-10-13)21-14-7-5-11-3-1-2-4-12(11)9-14/h1-10,20H,(H2,17,19).
What are the key properties of N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide?
N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide has a molecular weight of 279.30 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-naphthalen-2-yloxypyridine-3-carboximidamide is sourced from PubChem (CID 24709340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).