2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide

C15H20IN5 — CID 110914458

IUPAC2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCN(C)c1cc(C/N=C(\N)Nc2ccccc2)ccn1.I
InChIInChI=1S/C15H19N5.HI/c1-20(2)14-10-12(8-9-17-14)11-18-15(16)19-13-6-4-3-5-7-13;/h3-10H,11H2,1-2H3,(H3,16,18,19);1H
InChIKeyRHLJMHZGBRVLFS-UHFFFAOYSA-N
MW397.26 g/mol
LogP2.69
Rot. Bonds4

About 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide

2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110914458) has the molecular formula C15H20IN5 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide
PubChem CID110914458
Molecular FormulaC15H20IN5
Molecular Weight397.26 g/mol
Exact Mass397.08
IUPAC Name2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide
SMILESCN(C)c1cc(C/N=C(\N)Nc2ccccc2)ccn1.I
InChIInChI=1S/C15H19N5.HI/c1-20(2)14-10-12(8-9-17-14)11-18-15(16)19-13-6-4-3-5-7-13;/h3-10H,11H2,1-2H3,(H3,16,18,19);1H
InChIKeyRHLJMHZGBRVLFS-UHFFFAOYSA-N
XLogP2.69
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 52.69
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

2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111055882
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-propan-2-ylguanidine
CID 111055867
1-phenyl-2-(pyridin-4-ylmethyl)guanidine;hydroiodide
CID 110912451
1-phenyl-2-(pyridin-4-ylmethyl)guanidine
CID 62364718
2-benzyl-1-phenylguanidine
CID 12910062
1-benzyl-2-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-ethyl-1-methylguanidine;hydroiodide
CID 110950563
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-phenylguanidine
CID 110925462
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135048
1-(4-ethylphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine
CID 111050472
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 109394682
1-(3-methoxyphenyl)-2-[(2-phenylmethoxy-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111050435
2-[(4-ethoxy-3-fluorophenyl)methyl]-1-phenylguanidine
CID 111105561

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide (CID 110914458) is 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide is CN(C)c1cc(C/N=C(\N)Nc2ccccc2)ccn1.I.
What is the InChIKey of 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is RHLJMHZGBRVLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5.HI/c1-20(2)14-10-12(8-9-17-14)11-18-15(16)19-13-6-4-3-5-7-13;/h3-10H,11H2,1-2H3,(H3,16,18,19);1H.
What are the key properties of 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide?
2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 397.26 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110914458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).