1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide

C11H19IN4O — CID 120605821

IUPAC1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide
SMILESCCn1cccc(CN/C(=N/C)NC)c1=O.I
InChIInChI=1S/C11H18N4O.HI/c1-4-15-7-5-6-9(10(15)16)8-14-11(12-2)13-3;/h5-7H,4,8H2,1-3H3,(H2,12,13,14);1H
InChIKeyMDEUUDDHXRSTBB-UHFFFAOYSA-N
MW350.20 g/mol
LogP0.78
Rot. Bonds3

About 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide

1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide (PubChem CID 120605821) has the molecular formula C11H19IN4O and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide
PubChem CID120605821
Molecular FormulaC11H19IN4O
Molecular Weight350.20 g/mol
Exact Mass350.06
IUPAC Name1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide
SMILESCCn1cccc(CN/C(=N/C)NC)c1=O.I
InChIInChI=1S/C11H18N4O.HI/c1-4-15-7-5-6-9(10(15)16)8-14-11(12-2)13-3;/h5-7H,4,8H2,1-3H3,(H2,12,13,14);1H
InChIKeyMDEUUDDHXRSTBB-UHFFFAOYSA-N
XLogP0.78
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 50.78
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'}

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Related Compounds

1-ethyl-3-(ethylaminomethyl)pyridin-2-one
CID 82527243
1,2-dimethyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110914901
1,2-dimethyl-3-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 86779695
1,2-dimethyl-3-(naphthalen-1-ylmethyl)guanidine
CID 3028482
1,2-dimethyl-3-[[2-(phenoxymethyl)phenyl]methyl]guanidine
CID 86777132
1-[[2-(dimethylsulfamoyl)phenyl]methyl]-2,3-dimethylguanidine;hydroiodide
CID 110914553
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
1,2-dimethyl-3-[(2-phenylsulfanylphenyl)methyl]guanidine;hydroiodide
CID 111108902
3-(1-ethyl-2-oxo-3-pyridinyl)propanoic acid
CID 82527174
2-methyl-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111851616
1,2-dimethyl-3-[(4-pyrazol-1-ylphenyl)methyl]guanidine;hydrobromide
CID 75532344
1,2-dimethyl-3-[4-(2-oxo-1-pyridinyl)butyl]guanidine
CID 75526639

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The IUPAC name of 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide (CID 120605821) is 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide.
What is the SMILES notation for 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The canonical SMILES for 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide is CCn1cccc(CN/C(=N/C)NC)c1=O.I.
What is the InChIKey of 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide?
The InChIKey is MDEUUDDHXRSTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O.HI/c1-4-15-7-5-6-9(10(15)16)8-14-11(12-2)13-3;/h5-7H,4,8H2,1-3H3,(H2,12,13,14);1H.
What are the key properties of 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide?
1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide has a molecular weight of 350.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-2,3-dimethylguanidine;hydroiodide is sourced from PubChem (CID 120605821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).