2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide

C25H31IN4O — CID 109389545

IUPAC2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(Cc1ccccc1)c1ccccc1)NCC(O)c1ccncc1.I
InChIInChI=1S/C25H30N4O.HI/c1-2-27-25(29-19-24(30)22-13-15-26-16-14-22)28-18-23(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20;/h3-16,23-24,30H,2,17-19H2,1H3,(H2,27,28,29);1H
InChIKeySJNUTPPYUAETQL-UHFFFAOYSA-N
MW530.45 g/mol
LogP4.31
Rot. Bonds9

About 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide

2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide (PubChem CID 109389545) has the molecular formula C25H31IN4O and a molecular weight of 530.45 g/mol. Its IUPAC name is 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide
PubChem CID109389545
Molecular FormulaC25H31IN4O
Molecular Weight530.45 g/mol
Exact Mass530.15
IUPAC Name2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(Cc1ccccc1)c1ccccc1)NCC(O)c1ccncc1.I
InChIInChI=1S/C25H30N4O.HI/c1-2-27-25(29-19-24(30)22-13-15-26-16-14-22)28-18-23(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20;/h3-16,23-24,30H,2,17-19H2,1H3,(H2,27,28,29);1H
InChIKeySJNUTPPYUAETQL-UHFFFAOYSA-N
XLogP4.31
TPSA69.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.45
LogP ≤ 54.31
H-Bond Donors ≤ 53
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-(dimethylamino)-3-phenylpropyl]-1-ethyl-3-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109408986
1-(2,3-diphenylpropyl)-3-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]guanidine;hydroiodide
CID 109389420
2-(2,3-diphenylpropyl)-1-ethyl-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 109389609
2-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-diphenylpropyl)-3-ethylguanidine;hydroiodide
CID 109389612
1-(2,3-diphenylpropyl)-3-ethyl-2-[(1-methylpyrazol-4-yl)methyl]guanidine
CID 109389720
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-pyridin-3-ylethyl)guanidine;hydroiodide
CID 109411022
2-(2,3-diphenylpropyl)-1-ethyl-3-[4-(4-methylpiperazin-1-yl)butyl]guanidine;hydroiodide
CID 109389440
1-(2,3-diphenylpropyl)-3-ethyl-2-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 109389548
1-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2,3-diphenylpropyl)-3-ethylguanidine
CID 109389844
2-(2,2-diphenylethyl)-1,3-diethylguanidine
CID 110924816
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 109408465
3-[[[(2,3-diphenylpropylamino)-(ethylamino)methylidene]amino]methyl]benzamide
CID 109389748

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide?
The IUPAC name of 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide (CID 109389545) is 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide is CCN/C(=N\CC(Cc1ccccc1)c1ccccc1)NCC(O)c1ccncc1.I.
What is the InChIKey of 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide?
The InChIKey is SJNUTPPYUAETQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O.HI/c1-2-27-25(29-19-24(30)22-13-15-26-16-14-22)28-18-23(21-11-7-4-8-12-21)17-20-9-5-3-6-10-20;/h3-16,23-24,30H,2,17-19H2,1H3,(H2,27,28,29);1H.
What are the key properties of 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide?
2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide has a molecular weight of 530.45 g/mol, XLogP of 4.31, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-diphenylpropyl)-1-ethyl-3-(2-hydroxy-2-pyridin-4-ylethyl)guanidine;hydroiodide is sourced from PubChem (CID 109389545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).