2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide

C18H25IN4O — CID 120602879

IUPAC2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
SMILESCc1ccc(C/N=C(\N)Nc2cccc(C(C)C)c2)c(=O)n1C.I
InChIInChI=1S/C18H24N4O.HI/c1-12(2)14-6-5-7-16(10-14)21-18(19)20-11-15-9-8-13(3)22(4)17(15)23;/h5-10,12H,11H2,1-4H3,(H3,19,20,21);1H
InChIKeyNULJJZDSDXMPLT-UHFFFAOYSA-N
MW440.33 g/mol
LogP3.36
Rot. Bonds4

About 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide

2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide (PubChem CID 120602879) has the molecular formula C18H25IN4O and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
PubChem CID120602879
Molecular FormulaC18H25IN4O
Molecular Weight440.33 g/mol
Exact Mass440.11
IUPAC Name2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
SMILESCc1ccc(C/N=C(\N)Nc2cccc(C(C)C)c2)c(=O)n1C.I
InChIInChI=1S/C18H24N4O.HI/c1-12(2)14-6-5-7-16(10-14)21-18(19)20-11-15-9-8-13(3)22(4)17(15)23;/h5-10,12H,11H2,1-4H3,(H3,19,20,21);1H
InChIKeyNULJJZDSDXMPLT-UHFFFAOYSA-N
XLogP3.36
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.33
LogP ≤ 53.36
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'}

Analyze 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111025993
2-[(2,5-dimethylfuran-3-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111813210
2-[(3-methylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111046293
1-tert-butyl-2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]guanidine
CID 120602808
2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(2-methylpropyl)guanidine
CID 122082218
1-(3-propan-2-ylphenyl)-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111038147
2-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111098950
1-(3-propan-2-ylphenyl)-2-(quinolin-8-ylmethyl)guanidine;hydroiodide
CID 111089630
2-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111810463
2-[(2-imidazol-1-ylphenyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide
CID 111074422
2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111078311
2-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111817470

Frequently Asked Questions

What is the IUPAC name of 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
The IUPAC name of 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide (CID 120602879) is 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
The canonical SMILES for 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide is Cc1ccc(C/N=C(\N)Nc2cccc(C(C)C)c2)c(=O)n1C.I.
What is the InChIKey of 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
The InChIKey is NULJJZDSDXMPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O.HI/c1-12(2)14-6-5-7-16(10-14)21-18(19)20-11-15-9-8-13(3)22(4)17(15)23;/h5-10,12H,11H2,1-4H3,(H3,19,20,21);1H.
What are the key properties of 2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide?
2-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-1-(3-propan-2-ylphenyl)guanidine;hydroiodide has a molecular weight of 440.33 g/mol, XLogP of 3.36, 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-(3-propan-2-ylphenyl)guanidine;hydroiodide is sourced from PubChem (CID 120602879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).