3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide

C12H18N4O2 — CID 136825653

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide
SMILESC[C@@H]1CN(c2cnccc2/C(N)=N/O)C[C@H](C)O1
InChIInChI=1S/C12H18N4O2/c1-8-6-16(7-9(2)18-8)11-5-14-4-3-10(11)12(13)15-17/h3-5,8-9,17H,6-7H2,1-2H3,(H2,13,15)/t8-,9+
InChIKeySYVYOLNUBFKBBG-DTORHVGOSA-N
MW250.30 g/mol
LogP0.79
Rot. Bonds2

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136825653) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide
PubChem CID136825653
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide
SMILESC[C@@H]1CN(c2cnccc2/C(N)=N/O)C[C@H](C)O1
InChIInChI=1S/C12H18N4O2/c1-8-6-16(7-9(2)18-8)11-5-14-4-3-10(11)12(13)15-17/h3-5,8-9,17H,6-7H2,1-2H3,(H2,13,15)/t8-,9+
InChIKeySYVYOLNUBFKBBG-DTORHVGOSA-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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Related Compounds

2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxy-4-methoxybenzenecarboximidamide
CID 81302590
2-(2,6-dimethylmorpholin-4-yl)-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77004286
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24692564
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 104958843
3-bromo-4-(2,6-dimethylmorpholin-4-yl)-N'-hydroxybenzenecarboximidamide
CID 82799275
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072641
2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 79189095
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]pyridine-4-carboximidamide
CID 136952016
N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074615
3-(2,5-dimethylmorpholin-4-yl)pyridine-4-carbothioamide
CID 113269552
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]benzamide
CID 68507649
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridine-4-carboxylic acid
CID 114288777

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide (CID 136825653) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide is C[C@@H]1CN(c2cnccc2/C(N)=N/O)C[C@H](C)O1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is SYVYOLNUBFKBBG-DTORHVGOSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-6-16(7-9(2)18-8)11-5-14-4-3-10(11)12(13)15-17/h3-5,8-9,17H,6-7H2,1-2H3,(H2,13,15)/t8-,9+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-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 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136825653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).