1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide

C13H21IN4O — CID 120602893

IUPAC1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccc(C)n(C)c1=O)NC1CC1.I
InChIInChI=1S/C13H20N4O.HI/c1-9-4-5-10(12(18)17(9)3)8-15-13(14-2)16-11-6-7-11;/h4-5,11H,6-8H2,1-3H3,(H2,14,15,16);1H
InChIKeySYJUUFXOJPJPPD-UHFFFAOYSA-N
MW376.24 g/mol
LogP1.14
Rot. Bonds3

About 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide

1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide (PubChem CID 120602893) has the molecular formula C13H21IN4O and a molecular weight of 376.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
PubChem CID120602893
Molecular FormulaC13H21IN4O
Molecular Weight376.24 g/mol
Exact Mass376.08
IUPAC Name1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCc1ccc(C)n(C)c1=O)NC1CC1.I
InChIInChI=1S/C13H20N4O.HI/c1-9-4-5-10(12(18)17(9)3)8-15-13(14-2)16-11-6-7-11;/h4-5,11H,6-8H2,1-3H3,(H2,14,15,16);1H
InChIKeySYJUUFXOJPJPPD-UHFFFAOYSA-N
XLogP1.14
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 51.14
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-cyclopentyl-3-[(2-ethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111771191
1-cyclohexyl-3-[(2,4-dimethylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110957079
1-cyclopropyl-3-[[5-fluoro-2-(methylsulfonylmethyl)phenyl]methyl]-2-methylguanidine
CID 111824714
1-cyclopentyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111779634
1-[(4-bromo-2-chlorophenyl)methyl]-3-cyclopropyl-2-methylguanidine
CID 110934267
1-[(2,4-dimethoxyphenyl)methyl]-2-methyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256204
1-[(5-bromo-2-methoxyphenyl)methyl]-3-cyclopropyl-2-methylguanidine;hydroiodide
CID 110934926
1-cyclohexyl-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine;hydroiodide
CID 119140035
1-cyclohexyl-3-[(2,5-difluorophenyl)methyl]-2-methylguanidine
CID 111546661
2-methyl-1-(4-methylcyclohexyl)-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine
CID 111256161
2-methyl-1-[(4-methylphenyl)methyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018490
1-cyclobutyl-2-methyl-3-[(5-methylthiophen-2-yl)methyl]guanidine
CID 119154470

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide (CID 120602893) is 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide is C/N=C(\NCc1ccc(C)n(C)c1=O)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
The InChIKey is SYJUUFXOJPJPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.HI/c1-9-4-5-10(12(18)17(9)3)8-15-13(14-2)16-11-6-7-11;/h4-5,11H,6-8H2,1-3H3,(H2,14,15,16);1H.
What are the key properties of 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide?
1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide has a molecular weight of 376.24 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 120602893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).