1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide

C21H28IN5O — CID 111341502

IUPAC1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(OC)c1)NCCCn1ccc2ccccc21.I
InChIInChI=1S/C21H27N5O.HI/c1-3-22-21(25-16-17-9-12-23-20(15-17)27-2)24-11-6-13-26-14-10-18-7-4-5-8-19(18)26;/h4-5,7-10,12,14-15H,3,6,11,13,16H2,1-2H3,(H2,22,24,25);1H
InChIKeyHZCHDIZCHLSPEU-UHFFFAOYSA-N
MW493.39 g/mol
LogP3.81
Rot. Bonds8

About 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide

1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111341502) has the molecular formula C21H28IN5O and a molecular weight of 493.39 g/mol. Its IUPAC name is 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111341502
Molecular FormulaC21H28IN5O
Molecular Weight493.39 g/mol
Exact Mass493.13
IUPAC Name1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(OC)c1)NCCCn1ccc2ccccc21.I
InChIInChI=1S/C21H27N5O.HI/c1-3-22-21(25-16-17-9-12-23-20(15-17)27-2)24-11-6-13-26-14-10-18-7-4-5-8-19(18)26;/h4-5,7-10,12,14-15H,3,6,11,13,16H2,1-2H3,(H2,22,24,25);1H
InChIKeyHZCHDIZCHLSPEU-UHFFFAOYSA-N
XLogP3.81
TPSA63.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
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 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;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-[(6-chloro-3-pyridinyl)methyl]-1-ethyl-3-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111341050
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111341630
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111006588
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387231
1-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191505
1-ethyl-2-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111785280
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111585281
methyl 3-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]-2-methylpropanoate;hydroiodide
CID 111341614
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]guanidine
CID 111213303
1-ethyl-2-(3-hydroxy-2-methylpropyl)-3-(3-indol-1-ylpropyl)guanidine;hydroiodide
CID 111341446
1-ethyl-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-indol-1-ylpropyl)guanidine
CID 111766117
1-[3-(3-ethoxy-4-methoxyphenyl)propyl]-3-ethyl-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111574256

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide (CID 111341502) is 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccnc(OC)c1)NCCCn1ccc2ccccc21.I.
What is the InChIKey of 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is HZCHDIZCHLSPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O.HI/c1-3-22-21(25-16-17-9-12-23-20(15-17)27-2)24-11-6-13-26-14-10-18-7-4-5-8-19(18)26;/h4-5,7-10,12,14-15H,3,6,11,13,16H2,1-2H3,(H2,22,24,25);1H.
What are the key properties of 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide?
1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 493.39 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-indol-1-ylpropyl)-2-[(2-methoxy-4-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111341502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).