2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide

C12H18N4O2 — CID 24692564

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CN(c2ncccc2/C(N)=N/O)CC(C)O1
InChIInChI=1S/C12H18N4O2/c1-8-6-16(7-9(2)18-8)12-10(11(13)15-17)4-3-5-14-12/h3-5,8-9,17H,6-7H2,1-2H3,(H2,13,15)
InChIKeyZZFOJOPYQYSBBB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.79
Rot. Bonds2

About 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide

2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 24692564) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID24692564
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCC1CN(c2ncccc2/C(N)=N/O)CC(C)O1
InChIInChI=1S/C12H18N4O2/c1-8-6-16(7-9(2)18-8)12-10(11(13)15-17)4-3-5-14-12/h3-5,8-9,17H,6-7H2,1-2H3,(H2,13,15)
InChIKeyZZFOJOPYQYSBBB-UHFFFAOYSA-N
XLogP0.79
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.79
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 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide (CID 24692564) is 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide is CC1CN(c2ncccc2/C(N)=N/O)CC(C)O1.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is ZZFOJOPYQYSBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-6-16(7-9(2)18-8)12-10(11(13)15-17)4-3-5-14-12/h3-5,8-9,17H,6-7H2,1-2H3,(H2,13,15).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide?
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 250.30 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 24692564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).