N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide

C22H35IN4O3S — CID 111263432

IUPACN'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N1CC(C)OC(C)C1)N1CC=C(c2ccccc2)CC1.I
InChIInChI=1S/C22H34N4O3S.HI/c1-4-23-22(25-13-10-21(11-14-25)20-8-6-5-7-9-20)24-12-15-30(27,28)26-16-18(2)29-19(3)17-26;/h5-10,18-19H,4,11-17H2,1-3H3,(H,23,24);1H
InChIKeyLSMIQXWISGALOC-UHFFFAOYSA-N
MW562.52 g/mol
LogP2.80
Rot. Bonds6

About N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide

N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (PubChem CID 111263432) has the molecular formula C22H35IN4O3S and a molecular weight of 562.52 g/mol. Its IUPAC name is N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
PubChem CID111263432
Molecular FormulaC22H35IN4O3S
Molecular Weight562.52 g/mol
Exact Mass562.15
IUPAC NameN'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCS(=O)(=O)N1CC(C)OC(C)C1)N1CC=C(c2ccccc2)CC1.I
InChIInChI=1S/C22H34N4O3S.HI/c1-4-23-22(25-13-10-21(11-14-25)20-8-6-5-7-9-20)24-12-15-30(27,28)26-16-18(2)29-19(3)17-26;/h5-10,18-19H,4,11-17H2,1-3H3,(H,23,24);1H
InChIKeyLSMIQXWISGALOC-UHFFFAOYSA-N
XLogP2.80
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-(2-morpholin-4-ylsulfonylethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263835
N-ethyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263362
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263793
N-tert-butyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263370
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263811
N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263359
N-ethyl-N'-[3-(oxolan-2-ylmethoxy)propyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263222
N-ethyl-4-phenyl-N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263630
N-[2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]ethyl]pyridine-3-carboxamide;hydroiodide
CID 111263280
1-[3-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide;hydroiodide
CID 111263942
N-ethyl-4-phenyl-N'-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide
CID 111263192
2-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine;hydroiodide
CID 111229408

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide (CID 111263432) is N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is CCN/C(=N\CCS(=O)(=O)N1CC(C)OC(C)C1)N1CC=C(c2ccccc2)CC1.I.
What is the InChIKey of N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?
The InChIKey is LSMIQXWISGALOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3S.HI/c1-4-23-22(25-13-10-21(11-14-25)20-8-6-5-7-9-20)24-12-15-30(27,28)26-16-18(2)29-19(3)17-26;/h5-10,18-19H,4,11-17H2,1-3H3,(H,23,24);1H.
What are the key properties of N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide?
N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide has a molecular weight of 562.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111263432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).