2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine

C17H18Cl2N4 — CID 120581767

IUPAC2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1(c2c(Cl)cccc2Cl)CCC1)Nc1ccccn1
InChIInChI=1S/C17H18Cl2N4/c18-12-5-3-6-13(19)15(12)17(8-4-9-17)11-22-16(20)23-14-7-1-2-10-21-14/h1-3,5-7,10H,4,8-9,11H2,(H3,20,21,22,23)
InChIKeyBPWICWSSCMOHRU-UHFFFAOYSA-N
MW349.27 g/mol
LogP4.24
Rot. Bonds4

About 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine

2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine (PubChem CID 120581767) has the molecular formula C17H18Cl2N4 and a molecular weight of 349.27 g/mol. Its IUPAC name is 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
PubChem CID120581767
Molecular FormulaC17H18Cl2N4
Molecular Weight349.27 g/mol
Exact Mass348.09
IUPAC Name2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\CC1(c2c(Cl)cccc2Cl)CCC1)Nc1ccccn1
InChIInChI=1S/C17H18Cl2N4/c18-12-5-3-6-13(19)15(12)17(8-4-9-17)11-22-16(20)23-14-7-1-2-10-21-14/h1-3,5-7,10H,4,8-9,11H2,(H3,20,21,22,23)
InChIKeyBPWICWSSCMOHRU-UHFFFAOYSA-N
XLogP4.24
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[[1-(3-bromophenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119934704
1-pyridin-2-yl-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]guanidine;hydroiodide
CID 119148354
2-[[1-(3,4-dimethylphenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605953
2-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-pyridin-2-ylguanidine
CID 119120271
2-[(1-methylsulfanylcyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120605860
2-[[1-(dimethylamino)cyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119117281
1-pyridin-2-yl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 119147612
2-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119149339
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
2-[[2-(4-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]-1-pyridin-2-ylguanidine
CID 122082078

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine (CID 120581767) is 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine is N/C(=N\CC1(c2c(Cl)cccc2Cl)CCC1)Nc1ccccn1.
What is the InChIKey of 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine?
The InChIKey is BPWICWSSCMOHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4/c18-12-5-3-6-13(19)15(12)17(8-4-9-17)11-22-16(20)23-14-7-1-2-10-21-14/h1-3,5-7,10H,4,8-9,11H2,(H3,20,21,22,23).
What are the key properties of 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine?
2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine has a molecular weight of 349.27 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 120581767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).