1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine

C18H21FN4O — CID 120603148

IUPAC1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine
SMILESN/C(=N\Cc1ccnc(Oc2ccccc2F)c1)NC1CCCC1
InChIInChI=1S/C18H21FN4O/c19-15-7-3-4-8-16(15)24-17-11-13(9-10-21-17)12-22-18(20)23-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H3,20,22,23)
InChIKeyUDGIRJBVSOYZTC-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.36
Rot. Bonds5

About 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine

1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine (PubChem CID 120603148) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine
PubChem CID120603148
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine
SMILESN/C(=N\Cc1ccnc(Oc2ccccc2F)c1)NC1CCCC1
InChIInChI=1S/C18H21FN4O/c19-15-7-3-4-8-16(15)24-17-11-13(9-10-21-17)12-22-18(20)23-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H3,20,22,23)
InChIKeyUDGIRJBVSOYZTC-UHFFFAOYSA-N
XLogP3.36
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.36
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'}

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Related Compounds

2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-cyclopentylguanidine
CID 119121177
1-cyclohexyl-2-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111050169
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
1-cyclohexyl-2-[(4-ethoxy-3-fluorophenyl)methyl]guanidine
CID 111804422
1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111049820
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
CID 110925462
1-cyclohexyl-2-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111041376
1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine
CID 111714269
2-[(3-bromophenyl)methyl]-1-cyclopentylguanidine
CID 62367888
1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine
CID 111091804
1-cyclohexyl-2-[[6-(3-fluorophenoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111091803
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-(2-phenylethyl)guanidine
CID 111049928

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine?
The IUPAC name of 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine (CID 120603148) is 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine.
What is the SMILES notation for 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine?
The canonical SMILES for 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine is N/C(=N\Cc1ccnc(Oc2ccccc2F)c1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine?
The InChIKey is UDGIRJBVSOYZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c19-15-7-3-4-8-16(15)24-17-11-13(9-10-21-17)12-22-18(20)23-14-5-1-2-6-14/h3-4,7-11,14H,1-2,5-6,12H2,(H3,20,22,23).
What are the key properties of 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine?
1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine has a molecular weight of 328.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine is sourced from PubChem (CID 120603148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).