1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide

C19H26IN5 — CID 110026898

IUPAC1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/Cc2ccc(C)nc2N2CCCC2)cc1.I
InChIInChI=1S/C19H25N5.HI/c1-14-5-9-17(10-6-14)23-19(20)21-13-16-8-7-15(2)22-18(16)24-11-3-4-12-24;/h5-10H,3-4,11-13H2,1-2H3,(H3,20,21,23);1H
InChIKeyLFTGWCRZPIBNSU-UHFFFAOYSA-N
MW451.36 g/mol
LogP3.84
Rot. Bonds4

About 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide

1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 110026898) has the molecular formula C19H26IN5 and a molecular weight of 451.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID110026898
Molecular FormulaC19H26IN5
Molecular Weight451.36 g/mol
Exact Mass451.12
IUPAC Name1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
SMILESCc1ccc(N/C(N)=N/Cc2ccc(C)nc2N2CCCC2)cc1.I
InChIInChI=1S/C19H25N5.HI/c1-14-5-9-17(10-6-14)23-19(20)21-13-16-8-7-15(2)22-18(16)24-11-3-4-12-24;/h5-10H,3-4,11-13H2,1-2H3,(H3,20,21,23);1H
InChIKeyLFTGWCRZPIBNSU-UHFFFAOYSA-N
XLogP3.84
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.36
LogP ≤ 53.84
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 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]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

1-(3-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026873
2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110026892
1-(3-methoxyphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026909
2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 110026806
1-(2-methylprop-2-enyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide
CID 110026902
2-[(3,4-dimethoxyphenyl)methyl]-1-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine
CID 110026821
2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(4-methylphenyl)guanidine;hydroiodide
CID 111039248
2-[(2-ethylphenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111817684
1-(4-methylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042523
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111055962
1-(4-ethylphenyl)-2-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111085844
2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024839

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide (CID 110026898) is 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide is Cc1ccc(N/C(N)=N/Cc2ccc(C)nc2N2CCCC2)cc1.I.
What is the InChIKey of 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is LFTGWCRZPIBNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5.HI/c1-14-5-9-17(10-6-14)23-19(20)21-13-16-8-7-15(2)22-18(16)24-11-3-4-12-24;/h5-10H,3-4,11-13H2,1-2H3,(H3,20,21,23);1H.
What are the key properties of 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide?
1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 451.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[(6-methyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 110026898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).