N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

C13H20ClIN4O2 — CID 120661861

IUPACN'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCOc2ccc(Cl)cn2)CCO1.I
InChIInChI=1S/C13H19ClN4O2.HI/c1-10-9-18(5-7-19-10)13(15)16-4-6-20-12-3-2-11(14)8-17-12;/h2-3,8,10H,4-7,9H2,1H3,(H2,15,16);1H
InChIKeyHINDLGZHTHVYMP-UHFFFAOYSA-N
MW426.69 g/mol
LogP1.77
Rot. Bonds4

About N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide

N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (PubChem CID 120661861) has the molecular formula C13H20ClIN4O2 and a molecular weight of 426.69 g/mol. Its IUPAC name is N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
PubChem CID120661861
Molecular FormulaC13H20ClIN4O2
Molecular Weight426.69 g/mol
Exact Mass426.03
IUPAC NameN'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
SMILESCC1CN(/C(N)=N/CCOc2ccc(Cl)cn2)CCO1.I
InChIInChI=1S/C13H19ClN4O2.HI/c1-10-9-18(5-7-19-10)13(15)16-4-6-20-12-3-2-11(14)8-17-12;/h2-3,8,10H,4-7,9H2,1H3,(H2,15,16);1H
InChIKeyHINDLGZHTHVYMP-UHFFFAOYSA-N
XLogP1.77
TPSA72.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.69
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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': 'iodine', 'substructure': 'N/A'}

Analyze N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide 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-methyl-N'-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661971
2-methyl-N'-[2-(2-methylprop-2-enoxy)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 120661867
N'-[(2S)-2-(4-chlorophenoxy)propyl]-2-methylmorpholine-4-carboximidamide
CID 120662236
N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661163
N'-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-4-carboximidamide;hydroiodide
CID 86779305
N'-[2-(4-chlorophenoxy)ethyl]-3-methylpiperidine-1-carboximidamide
CID 111032344
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboximidamide
CID 120661644
2-methyl-N'-[2-(2-methylphenyl)ethyl]morpholine-4-carboximidamide
CID 166222802
N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
CID 120661286
N'-[2-[(5-chlorothiophen-2-yl)sulfonylamino]ethyl]-2-methylmorpholine-4-carboximidamide
CID 120661936
N'-(3-cyclopropyl-3-methylbutyl)-2-methylmorpholine-4-carboximidamide
CID 122096622

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide (CID 120661861) is N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is CC1CN(/C(N)=N/CCOc2ccc(Cl)cn2)CCO1.I.
What is the InChIKey of N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
The InChIKey is HINDLGZHTHVYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN4O2.HI/c1-10-9-18(5-7-19-10)13(15)16-4-6-20-12-3-2-11(14)8-17-12;/h2-3,8,10H,4-7,9H2,1H3,(H2,15,16);1H.
What are the key properties of N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide?
N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide has a molecular weight of 426.69 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 120661861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).