N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide

C13H20N4O2 — CID 136990599

IUPACN'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide
SMILESCC1CN(c2ccc(/C(N)=N/O)nc2)CC(C)(C)O1
InChIInChI=1S/C13H20N4O2/c1-9-7-17(8-13(2,3)19-9)10-4-5-11(15-6-10)12(14)16-18/h4-6,9,18H,7-8H2,1-3H3,(H2,14,16)
InChIKeyQWUMXYQSQMFQBP-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.18
Rot. Bonds2

About N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide

N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide (PubChem CID 136990599) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide
PubChem CID136990599
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide
SMILESCC1CN(c2ccc(/C(N)=N/O)nc2)CC(C)(C)O1
InChIInChI=1S/C13H20N4O2/c1-9-7-17(8-13(2,3)19-9)10-4-5-11(15-6-10)12(14)16-18/h4-6,9,18H,7-8H2,1-3H3,(H2,14,16)
InChIKeyQWUMXYQSQMFQBP-UHFFFAOYSA-N
XLogP1.18
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.18
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide (CID 136990599) is N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide is CC1CN(c2ccc(/C(N)=N/O)nc2)CC(C)(C)O1.
What is the InChIKey of N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide?
The InChIKey is QWUMXYQSQMFQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-7-17(8-13(2,3)19-9)10-4-5-11(15-6-10)12(14)16-18/h4-6,9,18H,7-8H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide?
N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(2,2,6-trimethylmorpholin-4-yl)pyridine-2-carboximidamide is sourced from PubChem (CID 136990599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).