N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide

C11H18N4O2 — CID 136990637

IUPACN'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
SMILESCOCCCN(C)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C11H18N4O2/c1-15(6-3-7-17-2)9-4-5-10(13-8-9)11(12)14-16/h4-5,8,16H,3,6-7H2,1-2H3,(H2,12,14)
InChIKeyIPJWHNZNGUZMGC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.65
Rot. Bonds6

About N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide

N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide (PubChem CID 136990637) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
PubChem CID136990637
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide
SMILESCOCCCN(C)c1ccc(/C(N)=N/O)nc1
InChIInChI=1S/C11H18N4O2/c1-15(6-3-7-17-2)9-4-5-10(13-8-9)11(12)14-16/h4-5,8,16H,3,6-7H2,1-2H3,(H2,12,14)
InChIKeyIPJWHNZNGUZMGC-UHFFFAOYSA-N
XLogP0.65
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-5-[methyl(2-pyridin-2-ylethyl)amino]pyridine-2-carboximidamide
CID 136990475
(1R)-1-[5-[3-methoxypropyl(methyl)amino]-2-pyridinyl]ethanol
CID 83132161
6-[(1R)-1-aminoethyl]-N-(3-methoxypropyl)-N-methylpyridin-3-amine
CID 83126972
N'-hydroxy-5-methoxypyridine-2-carboximidamide
CID 135743705
5-[ethyl(2-hydroxyethyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990515
N'-hydroxy-5-[2-(2-methoxyethoxy)ethoxy]pyridine-2-carboximidamide
CID 136867042
5-[butan-2-yl(butyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136990581
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-methylamino]benzenecarboximidamide
CID 103409993
5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990531
N'-hydroxy-5-[2-hydroxyethyl(propyl)amino]pyridine-2-carboximidamide
CID 136990539
2-bromo-N'-hydroxy-6-[3-methoxypropyl(methyl)amino]benzenecarboximidamide
CID 114883251
5-[cyclopentyl(methyl)amino]-N'-hydroxypyridine-2-carboximidamide
CID 136967271

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide (CID 136990637) is N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide is COCCCN(C)c1ccc(/C(N)=N/O)nc1.
What is the InChIKey of N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide?
The InChIKey is IPJWHNZNGUZMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15(6-3-7-17-2)9-4-5-10(13-8-9)11(12)14-16/h4-5,8,16H,3,6-7H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide?
N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of 0.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-[3-methoxypropyl(methyl)amino]pyridine-2-carboximidamide is sourced from PubChem (CID 136990637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).