1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide

C15H19IN4O — CID 111043095

IUPAC1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCc2cccnc2)c1.I
InChIInChI=1S/C15H18N4O.HI/c1-20-14-6-2-5-13(10-14)19-15(16)18-9-7-12-4-3-8-17-11-12;/h2-6,8,10-11H,7,9H2,1H3,(H3,16,18,19);1H
InChIKeyONVBDONLNMVSQT-UHFFFAOYSA-N
MW398.25 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide

1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide (PubChem CID 111043095) has the molecular formula C15H19IN4O and a molecular weight of 398.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
PubChem CID111043095
Molecular FormulaC15H19IN4O
Molecular Weight398.25 g/mol
Exact Mass398.06
IUPAC Name1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide
SMILESCOc1cccc(N/C(N)=N/CCc2cccnc2)c1.I
InChIInChI=1S/C15H18N4O.HI/c1-20-14-6-2-5-13(10-14)19-15(16)18-9-7-12-4-3-8-17-11-12;/h2-6,8,10-11H,7,9H2,1H3,(H3,16,18,19);1H
InChIKeyONVBDONLNMVSQT-UHFFFAOYSA-N
XLogP2.68
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 52.68
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-chlorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111031316
1-(3-ethylphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine
CID 111046944
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
1-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945
2-[2-(6-methyl-3-pyridinyl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111802501
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
1-(3-methoxyphenyl)-2-pentylguanidine;hydroiodide
CID 111022589
1-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)butyl]guanidine
CID 111975479
2-[2-[di(propan-2-yl)amino]ethyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111026259
2-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111083112
2-[2-(3-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111046969
1-(2,3-dihydro-1H-inden-5-yl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046955

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The IUPAC name of 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide (CID 111043095) is 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide is COc1cccc(N/C(N)=N/CCc2cccnc2)c1.I.
What is the InChIKey of 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
The InChIKey is ONVBDONLNMVSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.HI/c1-20-14-6-2-5-13(10-14)19-15(16)18-9-7-12-4-3-8-17-11-12;/h2-6,8,10-11H,7,9H2,1H3,(H3,16,18,19);1H.
What are the key properties of 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide?
1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide has a molecular weight of 398.25 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2-(2-pyridin-3-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 111043095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).