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

C21H22N4O — CID 67532961

IUPAC1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine
SMILESCOc1ccccc1C/N=C(\N)Nc1cccc(Cc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-26-19-12-6-5-10-17(19)15-23-21(22)25-20-13-7-11-18(24-20)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H3,22,23,24,25)
InChIKeyFXLSCXHHPAPKGT-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.61
Rot. Bonds6

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

1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine (PubChem CID 67532961) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine
PubChem CID67532961
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine
SMILESCOc1ccccc1C/N=C(\N)Nc1cccc(Cc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-26-19-12-6-5-10-17(19)15-23-21(22)25-20-13-7-11-18(24-20)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H3,22,23,24,25)
InChIKeyFXLSCXHHPAPKGT-UHFFFAOYSA-N
XLogP3.61
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.61
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

2-[(2-methoxyphenyl)methyl]-1-(6-phenyl-2-pyridinyl)guanidine
CID 67532251
1-isoquinolin-3-yl-2-[(2-methoxyphenyl)methyl]guanidine
CID 67531748
2-[(2-methoxyphenyl)methyl]-1-pyrimidin-2-ylguanidine
CID 67531074
1-(2-methoxyphenyl)-2-(naphthalen-1-ylmethyl)guanidine;hydroiodide
CID 111046321
2-[(2-methoxyphenyl)methyl]-1-(4-phenyl-1H-pyrazol-5-yl)guanidine
CID 67386657
2-[(2-cyclobutyloxyphenyl)methyl]-1-(2-methoxyphenyl)guanidine;hydroiodide
CID 111816431
acetic acid;1-(1H-imidazol-2-yl)-2-[(2-methoxyphenyl)methyl]guanidine
CID 67387494
2-[(2-hydroxy-3-methoxyphenyl)methyl]-1-(2-phenylethyl)guanidine
CID 111099940
1-(3-ethylphenyl)-2-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine
CID 111099962
2-[(2-ethoxyphenyl)methyl]-1-phenylguanidine
CID 110918169
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 1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine?
The IUPAC name of 1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine (CID 67532961) is 1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine.
What is the SMILES notation for 1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine?
The canonical SMILES for 1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine is COc1ccccc1C/N=C(\N)Nc1cccc(Cc2ccccc2)n1.
What is the InChIKey of 1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine?
The InChIKey is FXLSCXHHPAPKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-26-19-12-6-5-10-17(19)15-23-21(22)25-20-13-7-11-18(24-20)14-16-8-3-2-4-9-16/h2-13H,14-15H2,1H3,(H3,22,23,24,25).
What are the key properties of 1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine?
1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine has a molecular weight of 346.43 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-benzyl-2-pyridinyl)-2-[(2-methoxyphenyl)methyl]guanidine is sourced from PubChem (CID 67532961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).