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

C13H20N4O3 — CID 102933018

IUPACN'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
SMILESCc1ccnc(N2CC(C)OC(CO)C2)c1/C(N)=N/O
InChIInChI=1S/C13H20N4O3/c1-8-3-4-15-13(11(8)12(14)16-19)17-5-9(2)20-10(6-17)7-18/h3-4,9-10,18-19H,5-7H2,1-2H3,(H2,14,16)
InChIKeyKFSJDPZXDBQWEU-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.07
Rot. Bonds3

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

N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide (PubChem CID 102933018) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
PubChem CID102933018
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC NameN'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
SMILESCc1ccnc(N2CC(C)OC(CO)C2)c1/C(N)=N/O
InChIInChI=1S/C13H20N4O3/c1-8-3-4-15-13(11(8)12(14)16-19)17-5-9(2)20-10(6-17)7-18/h3-4,9-10,18-19H,5-7H2,1-2H3,(H2,14,16)
InChIKeyKFSJDPZXDBQWEU-UHFFFAOYSA-N
XLogP0.07
TPSA104.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.07
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

N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102933012
[4-(3-aminopyrazin-2-yl)-6-methylmorpholin-2-yl]methanol
CID 102976001
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide
CID 104958905
[4-[4-(aminomethyl)pyridazin-3-yl]-6-methylmorpholin-2-yl]methanol
CID 102932038
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]-4-methylpyridine-3-carboximidamide
CID 82015567
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24692564
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-methylpyrazin-2-one
CID 102935181
[4-(2-amino-3-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102932034
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 104958843
[4-(6-chloro-5-ethylpyrimidin-4-yl)-6-methylmorpholin-2-yl]methanol
CID 102933974
[4-[5-(hydroxymethyl)-2-methyl-4-pyridinyl]-6-methylmorpholin-2-yl]methanol
CID 102935345
[4-(3,6-dichloro-1,2,4-triazin-5-yl)-6-methylmorpholin-2-yl]methanol
CID 102933968

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide (CID 102933018) is N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide is Cc1ccnc(N2CC(C)OC(CO)C2)c1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide?
The InChIKey is KFSJDPZXDBQWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-8-3-4-15-13(11(8)12(14)16-19)17-5-9(2)20-10(6-17)7-18/h3-4,9-10,18-19H,5-7H2,1-2H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide?
N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide has a molecular weight of 280.33 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-4-methylpyridine-3-carboximidamide is sourced from PubChem (CID 102933018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).