1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine

C19H25ClN4O3 — CID 109462310

IUPAC1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESC/N=C(\NCCOc1ccc(Cl)cn1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C19H25ClN4O3/c1-21-19(22-9-12-27-18-8-7-15(20)14-23-18)24-16-5-3-6-17(13-16)26-11-4-10-25-2/h3,5-8,13-14H,4,9-12H2,1-2H3,(H2,21,22,24)
InChIKeyOJDYHIFZLQQZBR-UHFFFAOYSA-N
MW392.89 g/mol
LogP3.22
Rot. Bonds10

About 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine

1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (PubChem CID 109462310) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
PubChem CID109462310
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
SMILESC/N=C(\NCCOc1ccc(Cl)cn1)Nc1cccc(OCCCOC)c1
InChIInChI=1S/C19H25ClN4O3/c1-21-19(22-9-12-27-18-8-7-15(20)14-23-18)24-16-5-3-6-17(13-16)26-11-4-10-25-2/h3,5-8,13-14H,4,9-12H2,1-2H3,(H2,21,22,24)
InChIKeyOJDYHIFZLQQZBR-UHFFFAOYSA-N
XLogP3.22
TPSA77.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine 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-(2,4-difluorophenoxy)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109460673
1-[3-(4-methoxyphenoxy)propyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109462158
1-[(3-chlorophenyl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109460424
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-(4-phenoxybutyl)guanidine;hydroiodide
CID 109460371
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 109460785
1-[3-(3-methoxypropoxy)phenyl]-2,3-dimethylguanidine
CID 109462402
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine
CID 109461866
1-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109461074
1-[2-(2,5-difluorophenyl)ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine;hydroiodide
CID 109461043
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]guanidine
CID 109461178
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine
CID 109461462
1-[3-(3-methoxypropoxy)phenyl]-2-methyl-3-(2-phenylsulfanylethyl)guanidine
CID 109461788

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine (CID 109462310) is 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is C/N=C(\NCCOc1ccc(Cl)cn1)Nc1cccc(OCCCOC)c1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
The InChIKey is OJDYHIFZLQQZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-21-19(22-9-12-27-18-8-7-15(20)14-23-18)24-16-5-3-6-17(13-16)26-11-4-10-25-2/h3,5-8,13-14H,4,9-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine?
1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine has a molecular weight of 392.89 g/mol, XLogP of 3.22, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine is sourced from PubChem (CID 109462310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).