2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide

C20H21IN4O — CID 111802407

IUPAC2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESCc1cccnc1C/N=C(\N)Nc1cccc(Oc2ccccc2)c1.I
InChIInChI=1S/C20H20N4O.HI/c1-15-7-6-12-22-19(15)14-23-20(21)24-16-8-5-11-18(13-16)25-17-9-3-2-4-10-17;/h2-13H,14H2,1H3,(H3,21,23,24);1H
InChIKeyZUKZEGLOMSSNSL-UHFFFAOYSA-N
MW460.32 g/mol
LogP4.73
Rot. Bonds5

About 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide

2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide (PubChem CID 111802407) has the molecular formula C20H21IN4O and a molecular weight of 460.32 g/mol. Its IUPAC name is 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
PubChem CID111802407
Molecular FormulaC20H21IN4O
Molecular Weight460.32 g/mol
Exact Mass460.08
IUPAC Name2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
SMILESCc1cccnc1C/N=C(\N)Nc1cccc(Oc2ccccc2)c1.I
InChIInChI=1S/C20H20N4O.HI/c1-15-7-6-12-22-19(15)14-23-20(21)24-16-8-5-11-18(13-16)25-17-9-3-2-4-10-17;/h2-13H,14H2,1H3,(H3,21,23,24);1H
InChIKeyZUKZEGLOMSSNSL-UHFFFAOYSA-N
XLogP4.73
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 54.73
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'}

Analyze 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide 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-phenoxyphenyl)-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111597441
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111599877
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-[(3-methyl-2-pyridinyl)methyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111802395
2-[2-(6-methyl-3-pyridinyl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111802501
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 109394682
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
1-(3-phenoxyphenyl)-2-(2-pyridin-3-yloxyethyl)guanidine
CID 111802898
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597801
1-(2,6-diethylphenyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 111802358

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide (CID 111802407) is 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide is Cc1cccnc1C/N=C(\N)Nc1cccc(Oc2ccccc2)c1.I.
What is the InChIKey of 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
The InChIKey is ZUKZEGLOMSSNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O.HI/c1-15-7-6-12-22-19(15)14-23-20(21)24-16-8-5-11-18(13-16)25-17-9-3-2-4-10-17;/h2-13H,14H2,1H3,(H3,21,23,24);1H.
What are the key properties of 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide?
2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide has a molecular weight of 460.32 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide is sourced from PubChem (CID 111802407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).