2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide

C12H16N4O — CID 54980530

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1cccnc1N1CC2CCC1C2
InChIInChI=1S/C12H16N4O/c13-11(15-17)10-2-1-5-14-12(10)16-7-8-3-4-9(16)6-8/h1-2,5,8-9,17H,3-4,6-7H2,(H2,13,15)
InChIKeyBONVVQVBCLZVSB-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.16
Rot. Bonds2

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide

2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 54980530) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID54980530
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1cccnc1N1CC2CCC1C2
InChIInChI=1S/C12H16N4O/c13-11(15-17)10-2-1-5-14-12(10)16-7-8-3-4-9(16)6-8/h1-2,5,8-9,17H,3-4,6-7H2,(H2,13,15)
InChIKeyBONVVQVBCLZVSB-UHFFFAOYSA-N
XLogP1.16
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.16
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 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide (CID 54980530) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide is NC(=NO)c1cccnc1N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is BONVVQVBCLZVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-11(15-17)10-2-1-5-14-12(10)16-7-8-3-4-9(16)6-8/h1-2,5,8-9,17H,3-4,6-7H2,(H2,13,15).
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 232.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 54980530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).