N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C15H21IN6 — CID 119114539

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cccnc1-n1ccnc1)N1CCCC1.I
InChIInChI=1S/C15H20N6.HI/c1-16-15(20-8-2-3-9-20)19-11-13-5-4-6-18-14(13)21-10-7-17-12-21;/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,16,19);1H
InChIKeyJVFHAUFLORPLLA-UHFFFAOYSA-N
MW412.28 g/mol
LogP2.06
Rot. Bonds3

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119114539) has the molecular formula C15H21IN6 and a molecular weight of 412.28 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119114539
Molecular FormulaC15H21IN6
Molecular Weight412.28 g/mol
Exact Mass412.09
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cccnc1-n1ccnc1)N1CCCC1.I
InChIInChI=1S/C15H20N6.HI/c1-16-15(20-8-2-3-9-20)19-11-13-5-4-6-18-14(13)21-10-7-17-12-21;/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,16,19);1H
InChIKeyJVFHAUFLORPLLA-UHFFFAOYSA-N
XLogP2.06
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142830
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142670
1-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dimethylguanidine
CID 99844699
1-cyclopropyl-3-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
CID 119114542
N-[(2-imidazol-1-ylphenyl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111144335
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propan-2-amine
CID 62293447
4-benzyl-N-[(2-imidazol-1-ylphenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 110960531
(2R)-2-amino-N-[(2-imidazol-1-yl-3-pyridinyl)methyl]propanamide;dihydrochloride
CID 119848231
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969782
ethyl 1-[N-[(2-imidazol-1-ylphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-3-carboxylate
CID 110995019
N-ethyl-N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-phenylpyrrolidine-1-carboximidamide
CID 119142539
N-[(2-imidazol-1-ylphenyl)methyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide
CID 111739044

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 119114539) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cccnc1-n1ccnc1)N1CCCC1.I.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is JVFHAUFLORPLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6.HI/c1-16-15(20-8-2-3-9-20)19-11-13-5-4-6-18-14(13)21-10-7-17-12-21;/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,16,19);1H.
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 412.28 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119114539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).