N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

C19H28IN7O — CID 119142670

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cccnc1-n1ccnc1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C19H27N7O.HI/c1-20-19(25-7-4-17(14-25)24-9-11-27-12-10-24)23-13-16-3-2-5-22-18(16)26-8-6-21-15-26;/h2-3,5-6,8,15,17H,4,7,9-14H2,1H3,(H,20,23);1H
InChIKeyOFUJPLSUBQYQQM-UHFFFAOYSA-N
MW497.39 g/mol
LogP1.37
Rot. Bonds4

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 119142670) has the molecular formula C19H28IN7O and a molecular weight of 497.39 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID119142670
Molecular FormulaC19H28IN7O
Molecular Weight497.39 g/mol
Exact Mass497.14
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cccnc1-n1ccnc1)N1CCC(N2CCOCC2)C1.I
InChIInChI=1S/C19H27N7O.HI/c1-20-19(25-7-4-17(14-25)24-9-11-27-12-10-24)23-13-16-3-2-5-22-18(16)26-8-6-21-15-26;/h2-3,5-6,8,15,17H,4,7,9-14H2,1H3,(H,20,23);1H
InChIKeyOFUJPLSUBQYQQM-UHFFFAOYSA-N
XLogP1.37
TPSA70.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethyl-N'-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142716
N-[(2-ethoxy-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111725875
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119114539
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-3-(4-methoxyphenyl)-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119142830
N-[[2-(diethylaminomethyl)phenyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111726636
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111726385
N'-methyl-3-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111726700
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727137
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727932
N'-methyl-N-[[2-(3-methylbutoxy)phenyl]methyl]-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide
CID 111727886
N'-methyl-3-morpholin-4-yl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111728170
N'-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109442201

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide (CID 119142670) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cccnc1-n1ccnc1)N1CCC(N2CCOCC2)C1.I.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is OFUJPLSUBQYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N7O.HI/c1-20-19(25-7-4-17(14-25)24-9-11-27-12-10-24)23-13-16-3-2-5-22-18(16)26-8-6-21-15-26;/h2-3,5-6,8,15,17H,4,7,9-14H2,1H3,(H,20,23);1H.
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 497.39 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119142670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).