N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide

C11H18N4O2 — CID 136954283

IUPACN'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide
SMILESCC(O)CCN(C)c1cccnc1/C(N)=N/O
InChIInChI=1S/C11H18N4O2/c1-8(16)5-7-15(2)9-4-3-6-13-10(9)11(12)14-17/h3-4,6,8,16-17H,5,7H2,1-2H3,(H2,12,14)
InChIKeyYJBZOZDQDVUQJM-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.38
Rot. Bonds5

About N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide

N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide (PubChem CID 136954283) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide
PubChem CID136954283
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide
SMILESCC(O)CCN(C)c1cccnc1/C(N)=N/O
InChIInChI=1S/C11H18N4O2/c1-8(16)5-7-15(2)9-4-3-6-13-10(9)11(12)14-17/h3-4,6,8,16-17H,5,7H2,1-2H3,(H2,12,14)
InChIKeyYJBZOZDQDVUQJM-UHFFFAOYSA-N
XLogP0.38
TPSA94.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.38
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide (CID 136954283) is N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide is CC(O)CCN(C)c1cccnc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide?
The InChIKey is YJBZOZDQDVUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8(16)5-7-15(2)9-4-3-6-13-10(9)11(12)14-17/h3-4,6,8,16-17H,5,7H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide?
N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-hydroxybutyl(methyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 136954283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).