1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine

C22H25N5O — CID 110968842

IUPAC1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(/NCc1ccnc(Oc2ccc(C)c(C)c2)c1)NCc1ccccn1
InChIInChI=1S/C22H25N5O/c1-16-7-8-20(12-17(16)2)28-21-13-18(9-11-25-21)14-26-22(23-3)27-15-19-6-4-5-10-24-19/h4-13H,14-15H2,1-3H3,(H2,23,26,27)
InChIKeyWIIXBISOYZHMRV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.75
Rot. Bonds6

About 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine

1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine (PubChem CID 110968842) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
PubChem CID110968842
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
SMILESC/N=C(/NCc1ccnc(Oc2ccc(C)c(C)c2)c1)NCc1ccccn1
InChIInChI=1S/C22H25N5O/c1-16-7-8-20(12-17(16)2)28-21-13-18(9-11-25-21)14-26-22(23-3)27-15-19-6-4-5-10-24-19/h4-13H,14-15H2,1-3H3,(H2,23,26,27)
InChIKeyWIIXBISOYZHMRV-UHFFFAOYSA-N
XLogP3.75
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine 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-ethoxy-4-pyridinyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110967624
1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-3-(2-ethoxyethyl)-2-methylguanidine;hydroiodide
CID 111894270
1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111014355
1-[(4-fluoro-3-methylphenyl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110970917
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine
CID 111231831
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111135857
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methyl-3-[(3-methylthiophen-2-yl)methyl]guanidine
CID 111893355
1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111645250
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111340721
2-methyl-1-[(2-methylphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970324
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110967928
2-methyl-1-[(3-propoxyphenyl)methyl]-3-(pyridin-2-ylmethyl)guanidine
CID 110968880

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The IUPAC name of 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine (CID 110968842) is 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The canonical SMILES for 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine is C/N=C(/NCc1ccnc(Oc2ccc(C)c(C)c2)c1)NCc1ccccn1.
What is the InChIKey of 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
The InChIKey is WIIXBISOYZHMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-7-8-20(12-17(16)2)28-21-13-18(9-11-25-21)14-26-22(23-3)27-15-19-6-4-5-10-24-19/h4-13H,14-15H2,1-3H3,(H2,23,26,27).
What are the key properties of 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine?
1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine has a molecular weight of 375.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine is sourced from PubChem (CID 110968842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).