2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine

C19H24N4O — CID 119120271

IUPAC2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
SMILESCOc1ccccc1C1(C/N=C(\N)Nc2ccccn2)CCCC1
InChIInChI=1S/C19H24N4O/c1-24-16-9-3-2-8-15(16)19(11-5-6-12-19)14-22-18(20)23-17-10-4-7-13-21-17/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H3,20,21,22,23)
InChIKeyJPQJCKVYFNLPGQ-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.33
Rot. Bonds5

About 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine

2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine (PubChem CID 119120271) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
PubChem CID119120271
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
SMILESCOc1ccccc1C1(C/N=C(\N)Nc2ccccn2)CCCC1
InChIInChI=1S/C19H24N4O/c1-24-16-9-3-2-8-15(16)19(11-5-6-12-19)14-22-18(20)23-17-10-4-7-13-21-17/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H3,20,21,22,23)
InChIKeyJPQJCKVYFNLPGQ-UHFFFAOYSA-N
XLogP3.33
TPSA72.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.33
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

1-(2,5-dimethoxyphenyl)-2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]guanidine;hydroiodide
CID 111078988
2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605953
2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
CID 120581767
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119934704
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110926616
1-pyridin-2-yl-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine;hydroiodide
CID 119148354
N'-[[1-(2-methoxyphenyl)cyclopentyl]methyl]thiomorpholine-4-carboximidamide
CID 111078997
2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119149339
N'-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 119121203

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine (CID 119120271) is 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine is COc1ccccc1C1(C/N=C(\N)Nc2ccccn2)CCCC1.
What is the InChIKey of 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine?
The InChIKey is JPQJCKVYFNLPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-24-16-9-3-2-8-15(16)19(11-5-6-12-19)14-22-18(20)23-17-10-4-7-13-21-17/h2-4,7-10,13H,5-6,11-12,14H2,1H3,(H3,20,21,22,23).
What are the key properties of 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine?
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine has a molecular weight of 324.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 119120271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).