1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide

C18H25IN4O — CID 111359938

IUPAC1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1C)NCc1cccc(OC)n1.I
InChIInChI=1S/C18H24N4O.HI/c1-4-19-18(20-12-15-9-6-5-8-14(15)2)21-13-16-10-7-11-17(22-16)23-3;/h5-11H,4,12-13H2,1-3H3,(H2,19,20,21);1H
InChIKeyOXWHDXOMRSUMGD-UHFFFAOYSA-N
MW440.33 g/mol
LogP3.27
Rot. Bonds6

About 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide

1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide (PubChem CID 111359938) has the molecular formula C18H25IN4O and a molecular weight of 440.33 g/mol. Its IUPAC name is 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
PubChem CID111359938
Molecular FormulaC18H25IN4O
Molecular Weight440.33 g/mol
Exact Mass440.11
IUPAC Name1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1C)NCc1cccc(OC)n1.I
InChIInChI=1S/C18H24N4O.HI/c1-4-19-18(20-12-15-9-6-5-8-14(15)2)21-13-16-10-7-11-17(22-16)23-3;/h5-11H,4,12-13H2,1-3H3,(H2,19,20,21);1H
InChIKeyOXWHDXOMRSUMGD-UHFFFAOYSA-N
XLogP3.27
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 53.27
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851038
1-[(6-methoxy-2-pyridinyl)methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360710
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111847837
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[[2-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 111374815
2-[(2,5-difluorophenyl)methyl]-1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111903315
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 109401646
1-ethyl-2-[[2-(methoxymethyl)phenyl]methyl]-3-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111360850
1-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-[(6-methoxy-2-pyridinyl)methyl]guanidine
CID 111362133
2-[(2-chlorophenyl)methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111175645
3-[(6-methoxy-2-pyridinyl)methyl]-1,2-dimethyl-1-[(2-methylphenyl)methyl]guanidine;hydroiodide
CID 111287320
1-ethyl-2-[(6-methoxy-2-pyridinyl)methyl]-3-[(3-methyl-1-benzofuran-2-yl)methyl]guanidine
CID 111603439
2-[(2,4-dimethylphenyl)methyl]-1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]guanidine
CID 111938287

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide (CID 111359938) is 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccccc1C)NCc1cccc(OC)n1.I.
What is the InChIKey of 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide?
The InChIKey is OXWHDXOMRSUMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.HI/c1-4-19-18(20-12-15-9-6-5-8-14(15)2)21-13-16-10-7-11-17(22-16)23-3;/h5-11H,4,12-13H2,1-3H3,(H2,19,20,21);1H.
What are the key properties of 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide?
1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide has a molecular weight of 440.33 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(6-methoxy-2-pyridinyl)methyl]-2-[(2-methylphenyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111359938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).