2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine

C12H18N4O — CID 120602824

IUPAC2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/Cc1ccc(C)n(C)c1=O
InChIInChI=1S/C12H18N4O/c1-4-7-14-12(13)15-8-10-6-5-9(2)16(3)11(10)17/h4-6H,1,7-8H2,2-3H3,(H3,13,14,15)
InChIKeyQKRYLYUVFTWGCO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.28
Rot. Bonds4

About 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine

2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine (PubChem CID 120602824) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine
PubChem CID120602824
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/Cc1ccc(C)n(C)c1=O
InChIInChI=1S/C12H18N4O/c1-4-7-14-12(13)15-8-10-6-5-9(2)16(3)11(10)17/h4-6H,1,7-8H2,2-3H3,(H3,13,14,15)
InChIKeyQKRYLYUVFTWGCO-UHFFFAOYSA-N
XLogP0.28
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.28
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(2-methylpropyl)guanidine
CID 122082218
1-tert-butyl-2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]guanidine
CID 120602808
2-[(2-ethylphenyl)methyl]-1-prop-2-enylguanidine
CID 111456477
2-[(2-ethylphenyl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 111456476
2-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-1-prop-2-enylguanidine
CID 111824658
2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 120602879
2-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110913863
2-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-prop-2-enylguanidine
CID 110914558
2-[4-(2-oxo-1-pyridinyl)butyl]-1-prop-2-enylguanidine
CID 136700156
4-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]benzamide
CID 110918617
2-[[3-[[[amino-(prop-2-enylamino)methylidene]amino]methyl]phenyl]methyl]-1-prop-2-enylguanidine;hydroiodide
CID 110062247
2-[(2-methylpyrimidin-4-yl)methyl]-1-prop-2-enylguanidine;hydroiodide
CID 119119982

Frequently Asked Questions

What is the IUPAC name of 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine (CID 120602824) is 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/Cc1ccc(C)n(C)c1=O.
What is the InChIKey of 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine?
The InChIKey is QKRYLYUVFTWGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-7-14-12(13)15-8-10-6-5-9(2)16(3)11(10)17/h4-6H,1,7-8H2,2-3H3,(H3,13,14,15).
What are the key properties of 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine?
2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine has a molecular weight of 234.30 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 120602824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).