2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine

C17H22N4 — CID 111787919

IUPAC2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine
SMILESC/N=C(\NCCc1ccccc1)NCc1ncccc1C
InChIInChI=1S/C17H22N4/c1-14-7-6-11-19-16(14)13-21-17(18-2)20-12-10-15-8-4-3-5-9-15/h3-9,11H,10,12-13H2,1-2H3,(H2,18,20,21)
InChIKeyUGYGSEFDADRTDF-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.30
Rot. Bonds5

About 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine

2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine (PubChem CID 111787919) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine
PubChem CID111787919
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine
SMILESC/N=C(\NCCc1ccccc1)NCc1ncccc1C
InChIInChI=1S/C17H22N4/c1-14-7-6-11-19-16(14)13-21-17(18-2)20-12-10-15-8-4-3-5-9-15/h3-9,11H,10,12-13H2,1-2H3,(H2,18,20,21)
InChIKeyUGYGSEFDADRTDF-UHFFFAOYSA-N
XLogP2.30
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)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-(3,3-diphenylpropyl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111788227
2-methyl-1-[2-(6-methyl-3-pyridinyl)ethyl]-3-(2-phenylethyl)guanidine
CID 111834921
1-[(2-methoxyphenyl)methyl]-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111788160
2-methyl-1-(2-phenylethyl)-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111135040
2-methyl-1-(3-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine
CID 111199624
1-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111135631
1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 119154904
2-methyl-1-[(2-methylphenyl)methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111191363
1-benzyl-2-methyl-3-[2-(2-methylphenoxy)ethyl]guanidine;hydroiodide
CID 110954917
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-methyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135550
1-(1-methoxypropan-2-yl)-2-methyl-3-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111788239
1-[2-(3-fluorophenyl)ethyl]-3-(isoquinolin-1-ylmethyl)-2-methylguanidine
CID 111395141

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine?
The IUPAC name of 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine (CID 111787919) is 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine.
What is the SMILES notation for 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine?
The canonical SMILES for 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine is C/N=C(\NCCc1ccccc1)NCc1ncccc1C.
What is the InChIKey of 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine?
The InChIKey is UGYGSEFDADRTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-7-6-11-19-16(14)13-21-17(18-2)20-12-10-15-8-4-3-5-9-15/h3-9,11H,10,12-13H2,1-2H3,(H2,18,20,21).
What are the key properties of 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine?
2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine has a molecular weight of 282.39 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylethyl)guanidine is sourced from PubChem (CID 111787919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).