N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide

C11H11N5O — CID 159911206

IUPACN'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(Nc2cccnc2)nc1
InChIInChI=1S/C11H11N5O/c12-11(16-17)8-3-4-10(14-6-8)15-9-2-1-5-13-7-9/h1-7,17H,(H2,12,16)(H,14,15)
InChIKeyNXEYIWOEPDXNSB-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.31
Rot. Bonds3

About N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide

N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide (PubChem CID 159911206) has the molecular formula C11H11N5O and a molecular weight of 229.24 g/mol. Its IUPAC name is N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide
PubChem CID159911206
Molecular FormulaC11H11N5O
Molecular Weight229.24 g/mol
Exact Mass229.10
IUPAC NameN'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(Nc2cccnc2)nc1
InChIInChI=1S/C11H11N5O/c12-11(16-17)8-3-4-10(14-6-8)15-9-2-1-5-13-7-9/h1-7,17H,(H2,12,16)(H,14,15)
InChIKeyNXEYIWOEPDXNSB-UHFFFAOYSA-N
XLogP1.31
TPSA96.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.31
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide (CID 159911206) is N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide is NC(=NO)c1ccc(Nc2cccnc2)nc1.
What is the InChIKey of N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide?
The InChIKey is NXEYIWOEPDXNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O/c12-11(16-17)8-3-4-10(14-6-8)15-9-2-1-5-13-7-9/h1-7,17H,(H2,12,16)(H,14,15).
What are the key properties of N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide?
N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide has a molecular weight of 229.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(pyridin-3-ylamino)pyridine-3-carboximidamide is sourced from PubChem (CID 159911206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).