2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide

C18H26ClIN4O — CID 110051545

IUPAC2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
SMILESCCCC/N=C(/NCCc1ccc(Cl)nc1)NCCc1ccco1.I
InChIInChI=1S/C18H25ClN4O.HI/c1-2-3-10-20-18(22-12-9-16-5-4-13-24-16)21-11-8-15-6-7-17(19)23-14-15;/h4-7,13-14H,2-3,8-12H2,1H3,(H2,20,21,22);1H
InChIKeyMTNOSXWJDWIKHW-UHFFFAOYSA-N
MW476.79 g/mol
LogP4.07
Rot. Bonds9

About 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide

2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 110051545) has the molecular formula C18H26ClIN4O and a molecular weight of 476.79 g/mol. Its IUPAC name is 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID110051545
Molecular FormulaC18H26ClIN4O
Molecular Weight476.79 g/mol
Exact Mass476.08
IUPAC Name2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
SMILESCCCC/N=C(/NCCc1ccc(Cl)nc1)NCCc1ccco1.I
InChIInChI=1S/C18H25ClN4O.HI/c1-2-3-10-20-18(22-12-9-16-5-4-13-24-16)21-11-8-15-6-7-17(19)23-14-15;/h4-7,13-14H,2-3,8-12H2,1H3,(H2,20,21,22);1H
InChIKeyMTNOSXWJDWIKHW-UHFFFAOYSA-N
XLogP4.07
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.79
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]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-[2-(6-chloro-3-pyridinyl)ethyl]-2-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 110050816
1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 110051171
1-[2-(6-chloro-3-pyridinyl)ethyl]-2-[2-(furan-2-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 110051551
1-[2-(6-chloro-3-pyridinyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110051175
1-[2-(furan-2-yl)ethyl]-3-pentyl-2-propylguanidine;hydroiodide
CID 111765966
1-ethyl-3-[2-(furan-2-yl)ethyl]-2-pentylguanidine
CID 111129563
1-[2-(4-chlorophenyl)ethyl]-3-[2-(furan-2-yl)ethyl]-2-(2-methoxyethyl)guanidine;hydroiodide
CID 111540992
1-butyl-3-[2-(furan-2-yl)ethyl]-2-(3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111356517
1-butyl-2-(4-ethoxybutyl)-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354955
3-[2-[[N'-butyl-N-[2-(furan-2-yl)ethyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633411
1-[2-(furan-2-yl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-2-propylguanidine
CID 111541292
1-(3-butoxypropyl)-3-[2-(furan-2-yl)ethyl]-2-propylguanidine;hydroiodide
CID 111769874

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide (CID 110051545) is 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide is CCCC/N=C(/NCCc1ccc(Cl)nc1)NCCc1ccco1.I.
What is the InChIKey of 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is MTNOSXWJDWIKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O.HI/c1-2-3-10-20-18(22-12-9-16-5-4-13-24-16)21-11-8-15-6-7-17(19)23-14-15;/h4-7,13-14H,2-3,8-12H2,1H3,(H2,20,21,22);1H.
What are the key properties of 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 476.79 g/mol, XLogP of 4.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-[2-(6-chloro-3-pyridinyl)ethyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110051545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).