1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide

C24H34IN5O3 — CID 111929334

IUPAC1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
SMILESCCCOc1ccc(Oc2ncccc2C/N=C(\NCC)NCC(=O)N2CCCC2)cc1.I
InChIInChI=1S/C24H33N5O3.HI/c1-3-16-31-20-9-11-21(12-10-20)32-23-19(8-7-13-26-23)17-27-24(25-4-2)28-18-22(30)29-14-5-6-15-29;/h7-13H,3-6,14-18H2,1-2H3,(H2,25,27,28);1H
InChIKeySHEJPPHTZWXSDN-UHFFFAOYSA-N
MW567.47 g/mol
LogP3.96
Rot. Bonds10

About 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide

1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide (PubChem CID 111929334) has the molecular formula C24H34IN5O3 and a molecular weight of 567.47 g/mol. Its IUPAC name is 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
PubChem CID111929334
Molecular FormulaC24H34IN5O3
Molecular Weight567.47 g/mol
Exact Mass567.17
IUPAC Name1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
SMILESCCCOc1ccc(Oc2ncccc2C/N=C(\NCC)NCC(=O)N2CCCC2)cc1.I
InChIInChI=1S/C24H33N5O3.HI/c1-3-16-31-20-9-11-21(12-10-20)32-23-19(8-7-13-26-23)17-27-24(25-4-2)28-18-22(30)29-14-5-6-15-29;/h7-13H,3-6,14-18H2,1-2H3,(H2,25,27,28);1H
InChIKeySHEJPPHTZWXSDN-UHFFFAOYSA-N
XLogP3.96
TPSA88.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.47
LogP ≤ 53.96
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': 'iodine', 'substructure': 'N/A'}

Analyze 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-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

1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[(2-phenylmethoxy-3-pyridinyl)methyl]guanidine
CID 111929781
1-ethyl-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970638
1-ethyl-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-3-(3-pyrazol-1-ylpropyl)guanidine
CID 111905581
(3R)-N-ethyl-3-hydroxy-N'-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111549959
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine
CID 111141825
4-acetyl-N-ethyl-N'-[(2-propoxy-3-pyridinyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110962600
1-ethyl-3-propan-2-yl-2-[(2-propoxy-3-pyridinyl)methyl]guanidine;hydroiodide
CID 111124552
1-ethyl-2-[[4-(2-methylpropoxy)phenyl]methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111928800
2-[[2-(ethoxymethyl)phenyl]methyl]-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929945
1-propanoyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 55880955
2-[[N'-[(2-butoxy-3-pyridinyl)methyl]-N-ethylcarbamimidoyl]amino]-N-tert-butylacetamide
CID 111383840
2-[(2-cyclobutyloxyphenyl)methyl]-1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111625809

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide (CID 111929334) is 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide is CCCOc1ccc(Oc2ncccc2C/N=C(\NCC)NCC(=O)N2CCCC2)cc1.I.
What is the InChIKey of 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
The InChIKey is SHEJPPHTZWXSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3.HI/c1-3-16-31-20-9-11-21(12-10-20)32-23-19(8-7-13-26-23)17-27-24(25-4-2)28-18-22(30)29-14-5-6-15-29;/h7-13H,3-6,14-18H2,1-2H3,(H2,25,27,28);1H.
What are the key properties of 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide?
1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide has a molecular weight of 567.47 g/mol, XLogP of 3.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-2-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111929334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).