2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

C17H22IN5 — CID 119119120

IUPAC2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CCN(c2ccccc2)C1)Nc1ccccn1
InChIInChI=1S/C17H21N5.HI/c18-17(21-16-8-4-5-10-19-16)20-12-14-9-11-22(13-14)15-6-2-1-3-7-15;/h1-8,10,14H,9,11-13H2,(H3,18,19,20,21);1H
InChIKeyMXUNXCQECWEREB-UHFFFAOYSA-N
MW423.30 g/mol
LogP2.95
Rot. Bonds4

About 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide

2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (PubChem CID 119119120) has the molecular formula C17H22IN5 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
PubChem CID119119120
Molecular FormulaC17H22IN5
Molecular Weight423.30 g/mol
Exact Mass423.09
IUPAC Name2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
SMILESI.N/C(=N\CC1CCN(c2ccccc2)C1)Nc1ccccn1
InChIInChI=1S/C17H21N5.HI/c18-17(21-16-8-4-5-10-19-16)20-12-14-9-11-22(13-14)15-6-2-1-3-7-15;/h1-8,10,14H,9,11-13H2,(H3,18,19,20,21);1H
InChIKeyMXUNXCQECWEREB-UHFFFAOYSA-N
XLogP2.95
TPSA66.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 52.95
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-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 119161153
2-[(4,4-difluorocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120762620
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-propylguanidine
CID 111065706
1-(cyclobutylmethyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065756
2-[(4-cyanocyclohexyl)methyl]-1-pyridin-2-ylguanidine;hydroiodide
CID 120727880
1-(6-methylheptan-2-yl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 111065722
1-(2,5-dimethoxyphenyl)-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine;hydroiodide
CID 111065745
2-[(2-hydroxycyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 119146849
2-[(2-phenylcyclopentyl)methyl]-1-pyridin-2-ylguanidine
CID 122097073
4-methyl-N'-[(1-phenylpyrrolidin-3-yl)methyl]piperidine-1-carboximidamide
CID 110919195
1-cyclopropyl-1-methyl-2-[(1-phenylpyrrolidin-3-yl)methyl]guanidine
CID 110030229
2-[(4-benzylmorpholin-2-yl)methyl]-1-pyridin-2-ylguanidine
CID 119117265

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide (CID 119119120) is 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is I.N/C(=N\CC1CCN(c2ccccc2)C1)Nc1ccccn1.
What is the InChIKey of 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
The InChIKey is MXUNXCQECWEREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5.HI/c18-17(21-16-8-4-5-10-19-16)20-12-14-9-11-22(13-14)15-6-2-1-3-7-15;/h1-8,10,14H,9,11-13H2,(H3,18,19,20,21);1H.
What are the key properties of 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide?
2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide has a molecular weight of 423.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrrolidin-3-yl)methyl]-1-pyridin-2-ylguanidine;hydroiodide is sourced from PubChem (CID 119119120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).