N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide

C13H20N4O2 — CID 103533946

IUPACN'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
SMILESCOC1CCN(c2cc(C)nc(C)c2/C(N)=N/O)C1
InChIInChI=1S/C13H20N4O2/c1-8-6-11(17-5-4-10(7-17)19-3)12(9(2)15-8)13(14)16-18/h6,10,18H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyIDYDKNKJXNVQPC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.02
Rot. Bonds3

About N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 103533946) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
PubChem CID103533946
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
SMILESCOC1CCN(c2cc(C)nc(C)c2/C(N)=N/O)C1
InChIInChI=1S/C13H20N4O2/c1-8-6-11(17-5-4-10(7-17)19-3)12(9(2)15-8)13(14)16-18/h6,10,18H,4-5,7H2,1-3H3,(H2,14,16)
InChIKeyIDYDKNKJXNVQPC-UHFFFAOYSA-N
XLogP1.02
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.02
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

N'-hydroxy-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 115965345
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 106587056
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
4-(4-methoxypiperidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 81054462
N'-hydroxy-2-(4-methoxypiperidin-1-yl)-6-methylpyridine-4-carboximidamide
CID 137013400
N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102781359
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
CID 136967839
N'-hydroxy-2,6-dimethyl-4-(2,2,6-trimethylmorpholin-4-yl)pyridine-3-carboximidamide
CID 81038142
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-2,6-dimethylpyridine-3-carbothioamide
CID 112625491
N'-hydroxy-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102933012
2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 103533634

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide (CID 103533946) is N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide is COC1CCN(c2cc(C)nc(C)c2/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is IDYDKNKJXNVQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8-6-11(17-5-4-10(7-17)19-3)12(9(2)15-8)13(14)16-18/h6,10,18H,4-5,7H2,1-3H3,(H2,14,16).
What are the key properties of N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 103533946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).