2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine

C16H16Cl2N4 — CID 120679860

IUPAC2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\C1CC(c2ccc(Cl)c(Cl)c2)C1)Nc1ccccn1
InChIInChI=1S/C16H16Cl2N4/c17-13-5-4-10(9-14(13)18)11-7-12(8-11)21-16(19)22-15-3-1-2-6-20-15/h1-6,9,11-12H,7-8H2,(H3,19,20,21,22)
InChIKeyPEGSUVVIBDLRHZ-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.06
Rot. Bonds3

About 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine

2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine (PubChem CID 120679860) has the molecular formula C16H16Cl2N4 and a molecular weight of 335.24 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine
PubChem CID120679860
Molecular FormulaC16H16Cl2N4
Molecular Weight335.24 g/mol
Exact Mass334.08
IUPAC Name2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine
SMILESN/C(=N\C1CC(c2ccc(Cl)c(Cl)c2)C1)Nc1ccccn1
InChIInChI=1S/C16H16Cl2N4/c17-13-5-4-10(9-14(13)18)11-7-12(8-11)21-16(19)22-15-3-1-2-6-20-15/h1-6,9,11-12H,7-8H2,(H3,19,20,21,22)
InChIKeyPEGSUVVIBDLRHZ-UHFFFAOYSA-N
XLogP4.06
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.06
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-[3-(3-chloro-4-fluorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120679877
2-[3-(3-fluoro-4-methoxyphenyl)cyclobutyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762834
2-(3,3-difluorocyclobutyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 120514493
2-(3-methyl-3-phenylcyclobutyl)-1-pyridin-2-ylguanidine
CID 119147015
N'-[3-(3,4-dichlorophenyl)cyclobutyl]morpholine-4-carboximidamide
CID 120679856
2-[3-(3-chloro-4-fluorophenyl)cyclobutyl]-1-(3-methoxyphenyl)guanidine;hydroiodide
CID 120679887
2-(2-methyl-2-propan-2-ylcyclopropyl)-1-pyridin-2-ylguanidine
CID 122098863
2-[[1-(2,6-dichlorophenyl)cyclobutyl]methyl]-1-pyridin-2-ylguanidine
CID 120581767
2-[[2-(4-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]-1-pyridin-2-ylguanidine
CID 122082078
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
pyridin-2-ylthiourea
CID 1490491
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine (CID 120679860) is 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine is N/C(=N\C1CC(c2ccc(Cl)c(Cl)c2)C1)Nc1ccccn1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine?
The InChIKey is PEGSUVVIBDLRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4/c17-13-5-4-10(9-14(13)18)11-7-12(8-11)21-16(19)22-15-3-1-2-6-20-15/h1-6,9,11-12H,7-8H2,(H3,19,20,21,22).
What are the key properties of 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine?
2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine has a molecular weight of 335.24 g/mol, XLogP of 4.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)cyclobutyl]-1-pyridin-2-ylguanidine is sourced from PubChem (CID 120679860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).