2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide

C13H20IN5 — CID 120662941

IUPAC2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CCN1CC=CCC1)Nc1ccccn1
InChIInChI=1S/C13H19N5.HI/c14-13(17-12-6-2-3-7-15-12)16-8-11-18-9-4-1-5-10-18;/h1-4,6-7H,5,8-11H2,(H3,14,15,16,17);1H
InChIKeyKFCXFWQMWAEZEK-UHFFFAOYSA-N
MW373.24 g/mol
LogP1.69
Rot. Bonds4

About 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 120662941) has the molecular formula C13H20IN5 and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID120662941
Molecular FormulaC13H20IN5
Molecular Weight373.24 g/mol
Exact Mass373.08
IUPAC Name2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CCN1CC=CCC1)Nc1ccccn1
InChIInChI=1S/C13H19N5.HI/c14-13(17-12-6-2-3-7-15-12)16-8-11-18-9-4-1-5-10-18;/h1-4,6-7H,5,8-11H2,(H3,14,15,16,17);1H
InChIKeyKFCXFWQMWAEZEK-UHFFFAOYSA-N
XLogP1.69
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 51.69
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-morpholin-4-ylethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119117134
2-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119120862
2-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-pyridin-2-ylguanidine
CID 119121081
2-[2-(1-methylpyrazol-4-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119227
2-(2-cycloheptyloxyethyl)-1-pyridin-2-ylguanidine;hydroiodide
CID 119147770
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]guanidine;hydroiodide
CID 120662923
2-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119161153
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119119120
2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 119117265
2-[(1-hydroxycyclobutyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119146788
2-[(1-morpholin-4-ylcyclopropyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120558132
1-pyridin-2-yl-2-(3,3,3-trifluoro-2-hydroxypropyl)guanidine;hydroiodide
CID 119118280

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 120662941) is 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide is I.N/C(=N\CCN1CC=CCC1)Nc1ccccn1.
What is the InChIKey of 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is KFCXFWQMWAEZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5.HI/c14-13(17-12-6-2-3-7-15-12)16-8-11-18-9-4-1-5-10-18;/h1-4,6-7H,5,8-11H2,(H3,14,15,16,17);1H.
What are the key properties of 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 373.24 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 120662941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).