N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide

C14H22N4O3 — CID 102933012

IUPACN'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N2CC(C)OC(CO)C2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H22N4O3/c1-8-4-12(13(10(3)16-8)14(15)17-20)18-5-9(2)21-11(6-18)7-19/h4,9,11,19-20H,5-7H2,1-3H3,(H2,15,17)
InChIKeyKHTNBDQRGHWLHY-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.38
Rot. Bonds3

About N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 102933012) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID102933012
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC NameN'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(N2CC(C)OC(CO)C2)c(/C(N)=N/O)c(C)n1
InChIInChI=1S/C14H22N4O3/c1-8-4-12(13(10(3)16-8)14(15)17-20)18-5-9(2)21-11(6-18)7-19/h4,9,11,19-20H,5-7H2,1-3H3,(H2,15,17)
InChIKeyKHTNBDQRGHWLHY-UHFFFAOYSA-N
XLogP0.38
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 106669723
4-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81053897
N'-hydroxy-2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carboximidamide
CID 81038142
N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
CID 102933018
N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102781359
[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol
CID 102935345
N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 115965345
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 103533946
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 106587056
4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2,6-dimethylpyridine-3-carboximidamide
CID 81053967
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-methylpyridine-4-carbonitrile
CID 102932797
N'-hydroxy-2,6-dimethyl-4-(2-propylpiperidin-1-yl)pyridine-3-carboximidamide
CID 83046252

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide (CID 102933012) is N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide is Cc1cc(N2CC(C)OC(CO)C2)c(/C(N)=N/O)c(C)n1.
What is the InChIKey of N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is KHTNBDQRGHWLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-8-4-12(13(10(3)16-8)14(15)17-20)18-5-9(2)21-11(6-18)7-19/h4,9,11,19-20H,5-7H2,1-3H3,(H2,15,17).
What are the key properties of N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 294.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 102933012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).