N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide

C15H26IN5 — CID 110955351

IUPACN'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(N(C)C)c1)N1CCCC1.I
InChIInChI=1S/C15H25N5.HI/c1-4-16-15(20-9-5-6-10-20)18-12-13-7-8-17-14(11-13)19(2)3;/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,16,18);1H
InChIKeyPZMPRUGJDLEJAF-UHFFFAOYSA-N
MW403.31 g/mol
LogP2.33
Rot. Bonds4

About N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide

N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 110955351) has the molecular formula C15H26IN5 and a molecular weight of 403.31 g/mol. Its IUPAC name is N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID110955351
Molecular FormulaC15H26IN5
Molecular Weight403.31 g/mol
Exact Mass403.12
IUPAC NameN'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(N(C)C)c1)N1CCCC1.I
InChIInChI=1S/C15H25N5.HI/c1-4-16-15(20-9-5-6-10-20)18-12-13-7-8-17-14(11-13)19(2)3;/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,16,18);1H
InChIKeyPZMPRUGJDLEJAF-UHFFFAOYSA-N
XLogP2.33
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.31
LogP ≤ 52.33
H-Bond Donors ≤ 51
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

N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-3,3-dimethylpyrrolidine-1-carboximidamide;hydroiodide
CID 111739593
4-benzyl-N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpiperazine-1-carboximidamide;hydroiodide
CID 110959586
ethyl 1-[N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111156176
(3R)-N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide
CID 111549862
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-azaspiro[4.5]decane-2-carboximidamide
CID 111745428
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-4-(2-methoxyphenyl)piperazine-1-carboximidamide
CID 111133157
4-(1,3-benzodioxol-5-ylmethyl)-N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpiperazine-1-carboximidamide
CID 111189104
3-benzyl-N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide
CID 111725251
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-3-morpholin-4-ylpyrrolidine-1-carboximidamide
CID 111727713
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-3-(4-methoxyphenyl)pyrrolidine-1-carboximidamide
CID 111731865
N-ethyl-N'-[(2-phenylmethoxy-4-pyridinyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955113
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479444

Frequently Asked Questions

What is the IUPAC name of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide (CID 110955351) is N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide is CCN/C(=N\Cc1ccnc(N(C)C)c1)N1CCCC1.I.
What is the InChIKey of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is PZMPRUGJDLEJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5.HI/c1-4-16-15(20-9-5-6-10-20)18-12-13-7-8-17-14(11-13)19(2)3;/h7-8,11H,4-6,9-10,12H2,1-3H3,(H,16,18);1H.
What are the key properties of N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide?
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 403.31 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110955351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).