2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine

C20H20N4O — CID 67532251

IUPAC2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
SMILESCOc1ccccc1C/N=C(\N)Nc1cccc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-25-18-12-6-5-10-16(18)14-22-20(21)24-19-13-7-11-17(23-19)15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H3,21,22,23,24)
InChIKeyTUKKZUMTZFVMNP-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.68
Rot. Bonds5

About 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine

2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine (PubChem CID 67532251) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
PubChem CID67532251
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
SMILESCOc1ccccc1C/N=C(\N)Nc1cccc(-c2ccccc2)n1
InChIInChI=1S/C20H20N4O/c1-25-18-12-6-5-10-16(18)14-22-20(21)24-19-13-7-11-17(23-19)15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H3,21,22,23,24)
InChIKeyTUKKZUMTZFVMNP-UHFFFAOYSA-N
XLogP3.68
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 67532961
1-isoquinolin-3-yl-2-[(2-methoxyphenyl)methyl]guanidine
CID 67531748
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine
CID 67386657
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 67387494
2-[(2,6-dimethoxyphenyl)methyl]-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]guanidine
CID 67386782
but-2-enedioic acid;1-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(2-methoxyphenyl)methyl]guanidine
CID 161026178
2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
CID 110918169
2-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-4-phenyl-1,3-thiazol-2-yl)guanidine;hydrobromide
CID 67386436
1-(2,5-diethoxyphenyl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 111025242
2-[(2-methoxyphenyl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046155

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine?
The IUPAC name of 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine (CID 67532251) is 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine is COc1ccccc1C/N=C(\N)Nc1cccc(-c2ccccc2)n1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine?
The InChIKey is TUKKZUMTZFVMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-25-18-12-6-5-10-16(18)14-22-20(21)24-19-13-7-11-17(23-19)15-8-3-2-4-9-15/h2-13H,14H2,1H3,(H3,21,22,23,24).
What are the key properties of 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine?
2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine has a molecular weight of 332.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine is sourced from PubChem (CID 67532251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).