2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine

C20H25FN4O — CID 139338280

IUPAC2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/C2CCC(c3ccnc(C)c3F)CC2)c1
InChIInChI=1S/C20H25FN4O/c1-13-19(21)18(10-11-23-13)14-6-8-15(9-7-14)24-20(22)25-16-4-3-5-17(12-16)26-2/h3-5,10-12,14-15H,6-9H2,1-2H3,(H3,22,24,25)
InChIKeyMAOKOJKZVMGCCJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.99
Rot. Bonds4

About 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine

2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine (PubChem CID 139338280) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine.

Molecular Properties

Compound Name2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine
PubChem CID139338280
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine
SMILESCOc1cccc(N/C(N)=N/C2CCC(c3ccnc(C)c3F)CC2)c1
InChIInChI=1S/C20H25FN4O/c1-13-19(21)18(10-11-23-13)14-6-8-15(9-7-14)24-20(22)25-16-4-3-5-17(12-16)26-2/h3-5,10-12,14-15H,6-9H2,1-2H3,(H3,22,24,25)
InChIKeyMAOKOJKZVMGCCJ-UHFFFAOYSA-N
XLogP3.99
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.99
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'}

Analyze 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)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

2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(4-fluorophenyl)guanidine
CID 139338330
2-[3-(3-bromo-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine
CID 120666120
2-[3-(3-chloro-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 120679887
1-(3-methoxyphenyl)-2-[3-[4-(trifluoromethyl)piperidin-1-yl]cyclobutyl]guanidine
CID 120662544
2-cyclopropyl-1-(3-methylsulfanylphenyl)guanidine
CID 62379412
2-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)guanidine
CID 111025676
2-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 119164616
2-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-1-(3-methoxyphenyl)guanidine
CID 111815698
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-methoxyphenyl)guanidine
CID 119120487
1-[3-(aminomethyl)phenyl]-2-cyclopropylguanidine
CID 18622151
2-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 111091711
2-cyclopropyl-1-naphthalen-2-ylguanidine
CID 55068735

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine?
The IUPAC name of 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine (CID 139338280) is 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine.
What is the SMILES notation for 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine?
The canonical SMILES for 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine is COc1cccc(N/C(N)=N/C2CCC(c3ccnc(C)c3F)CC2)c1.
What is the InChIKey of 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine?
The InChIKey is MAOKOJKZVMGCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c1-13-19(21)18(10-11-23-13)14-6-8-15(9-7-14)24-20(22)25-16-4-3-5-17(12-16)26-2/h3-5,10-12,14-15H,6-9H2,1-2H3,(H3,22,24,25).
What are the key properties of 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine?
2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine has a molecular weight of 356.45 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-2-methyl-4-pyridinyl)cyclohexyl]-1-(3-methoxyphenyl)guanidine is sourced from PubChem (CID 139338280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).