N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide

C11H16N4O2 — CID 136967839

IUPACN'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
SMILESCOC1CCN(c2ccnc(/C(N)=N/O)c2)C1
InChIInChI=1S/C11H16N4O2/c1-17-9-3-5-15(7-9)8-2-4-13-10(6-8)11(12)14-16/h2,4,6,9,16H,3,5,7H2,1H3,(H2,12,14)
InChIKeyQGUJMIIQDXLRSQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.40
Rot. Bonds3

About N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide

N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide (PubChem CID 136967839) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
PubChem CID136967839
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC NameN'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide
SMILESCOC1CCN(c2ccnc(/C(N)=N/O)c2)C1
InChIInChI=1S/C11H16N4O2/c1-17-9-3-5-15(7-9)8-2-4-13-10(6-8)11(12)14-16/h2,4,6,9,16H,3,5,7H2,1H3,(H2,12,14)
InChIKeyQGUJMIIQDXLRSQ-UHFFFAOYSA-N
XLogP0.40
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.40
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-[4-(1-hydroxyethyl)piperidin-1-yl]pyridine-2-carboximidamide
CID 136762079
4-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxypyridine-2-carboximidamide
CID 136980807
N'-hydroxy-2-(4-methoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 136986695
4-(3-methoxypyrrolidin-1-yl)-N-methylpyridin-2-amine
CID 103541733
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 103533946
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]methanamine
CID 102955936
N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide
CID 136749153
N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide
CID 103533970
[4-(3-methoxypiperidin-1-yl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 56886009
[4-(4-methoxypiperidin-1-yl)-2-pyridinyl]methanol
CID 61257075
4-(3-methoxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 102958415
2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
CID 107550740

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide (CID 136967839) is N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide is COC1CCN(c2ccnc(/C(N)=N/O)c2)C1.
What is the InChIKey of N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide?
The InChIKey is QGUJMIIQDXLRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-9-3-5-15(7-9)8-2-4-13-10(6-8)11(12)14-16/h2,4,6,9,16H,3,5,7H2,1H3,(H2,12,14).
What are the key properties of N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide?
N'-hydroxy-4-(3-methoxypyrrolidin-1-yl)pyridine-2-carboximidamide has a molecular weight of 236.27 g/mol, XLogP of 0.40, 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)pyridine-2-carboximidamide is sourced from PubChem (CID 136967839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).