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

C13H20N4O2 — CID 61432324

IUPACN'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide
SMILESCN(CC1CCCCO1)c1ncccc1C(N)=NO
InChIInChI=1S/C13H20N4O2/c1-17(9-10-5-2-3-8-19-10)13-11(12(14)16-18)6-4-7-15-13/h4,6-7,10,18H,2-3,5,8-9H2,1H3,(H2,14,16)
InChIKeyHZFAYQYVWXCQBG-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.18
Rot. Bonds4

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

N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide (PubChem CID 61432324) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide
PubChem CID61432324
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide
SMILESCN(CC1CCCCO1)c1ncccc1C(N)=NO
InChIInChI=1S/C13H20N4O2/c1-17(9-10-5-2-3-8-19-10)13-11(12(14)16-18)6-4-7-15-13/h4,6-7,10,18H,2-3,5,8-9H2,1H3,(H2,14,16)
InChIKeyHZFAYQYVWXCQBG-UHFFFAOYSA-N
XLogP1.18
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.18
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'}

Analyze N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-3-carboximidamide
CID 78971246
2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61222214
[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 131942429
(1S)-1-[2-[methyl(oxolan-2-ylmethyl)amino]-3-pyridinyl]ethanol
CID 114055895
N'-hydroxy-2-(oxan-2-ylmethoxy)benzenecarboximidamide
CID 43200025
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]pyridin-2-amine
CID 62469789
3-[methyl(oxolan-2-ylmethyl)amino]pyridazine-4-carboximidamide
CID 80513387
3-chloro-2-[cyclohexylmethyl(methyl)amino]-N'-hydroxypyridine-4-carboximidamide
CID 136739366
2-[(2-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-3-carboximidamide
CID 61416620
3-[methyl(oxan-2-ylmethyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596790
2-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-carboxamide
CID 62179768
N'-hydroxy-3-methyl-2-(oxolan-2-ylmethoxy)benzenecarboximidamide
CID 107109641

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide (CID 61432324) is N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide is CN(CC1CCCCO1)c1ncccc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide?
The InChIKey is HZFAYQYVWXCQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17(9-10-5-2-3-8-19-10)13-11(12(14)16-18)6-4-7-15-13/h4,6-7,10,18H,2-3,5,8-9H2,1H3,(H2,14,16).
What are the key properties of N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide?
N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carboximidamide is sourced from PubChem (CID 61432324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).