2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine

C22H24N4O2 — CID 111599634

IUPAC2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine
SMILESN/C(=N\CCCCn1ccccc1=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H24N4O2/c23-22(24-14-5-7-16-26-15-6-4-13-21(26)27)25-18-9-8-12-20(17-18)28-19-10-2-1-3-11-19/h1-4,6,8-13,15,17H,5,7,14,16H2,(H3,23,24,25)
InChIKeyCHRUIVOOOMLEGI-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.85
Rot. Bonds8

About 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine

2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine (PubChem CID 111599634) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine
PubChem CID111599634
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine
SMILESN/C(=N\CCCCn1ccccc1=O)Nc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C22H24N4O2/c23-22(24-14-5-7-16-26-15-6-4-13-21(26)27)25-18-9-8-12-20(17-18)28-19-10-2-1-3-11-19/h1-4,6,8-13,15,17H,5,7,14,16H2,(H3,23,24,25)
InChIKeyCHRUIVOOOMLEGI-UHFFFAOYSA-N
XLogP3.85
TPSA81.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine 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-(3,4-dimethoxyphenyl)-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine;hydroiodide
CID 111083550
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597433
tert-butyl N-[3-[[amino-(3-phenoxyanilino)methylidene]amino]propyl]carbamate
CID 111598244
2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598697
1-(3-phenoxyphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111598315
4-[[amino-(3-phenoxyanilino)methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111599045
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
1-(3-phenoxyphenyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine
CID 111600134
1-(3-methylbutyl)-2-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 111083503
2-(2-oxo-2-piperidin-1-ylethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598749
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine?
The IUPAC name of 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine (CID 111599634) is 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine.
What is the SMILES notation for 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine?
The canonical SMILES for 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine is N/C(=N\CCCCn1ccccc1=O)Nc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine?
The InChIKey is CHRUIVOOOMLEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-22(24-14-5-7-16-26-15-6-4-13-21(26)27)25-18-9-8-12-20(17-18)28-19-10-2-1-3-11-19/h1-4,6,8-13,15,17H,5,7,14,16H2,(H3,23,24,25).
What are the key properties of 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine?
2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine has a molecular weight of 376.46 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-1-pyridinyl)butyl]-1-(3-phenoxyphenyl)guanidine is sourced from PubChem (CID 111599634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).