N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

C20H31IN6 — CID 109490441

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCc2ccc(-n3ccnc3)nc2)C1.I
InChIInChI=1S/C20H30N6.HI/c1-4-8-20(2)9-5-11-25(15-20)19(21-3)24-14-17-6-7-18(23-13-17)26-12-10-22-16-26;/h6-7,10,12-13,16H,4-5,8-9,11,14-15H2,1-3H3,(H,21,24);1H
InChIKeyMASGXGIULRWZIF-UHFFFAOYSA-N
MW482.41 g/mol
LogP3.86
Rot. Bonds5

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 109490441) has the molecular formula C20H31IN6 and a molecular weight of 482.41 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
PubChem CID109490441
Molecular FormulaC20H31IN6
Molecular Weight482.41 g/mol
Exact Mass482.17
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
SMILESCCCC1(C)CCCN(/C(=N/C)NCc2ccc(-n3ccnc3)nc2)C1.I
InChIInChI=1S/C20H30N6.HI/c1-4-8-20(2)9-5-11-25(15-20)19(21-3)24-14-17-6-7-18(23-13-17)26-12-10-22-16-26;/h6-7,10,12-13,16H,4-5,8-9,11,14-15H2,1-3H3,(H,21,24);1H
InChIKeyMASGXGIULRWZIF-UHFFFAOYSA-N
XLogP3.86
TPSA58.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.41
LogP ≤ 53.86
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'}

Analyze N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-N'-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-methyl-3-propylpiperidine-1-carboximidamide
CID 109490954
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426339
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine;hydroiodide
CID 111244562
N-[2-(1-benzylimidazol-2-yl)ethyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490779
N',3-dimethyl-N-[[2-(2-methylmorpholin-4-yl)-4-pyridinyl]methyl]-3-propylpiperidine-1-carboximidamide
CID 109490808
N-ethyl-N',3-dimethyl-3-propylpiperidine-1-carboximidamide
CID 109490392
N',3-dimethyl-N-[3-(1-methylpyrazol-4-yl)propyl]-3-propylpiperidine-1-carboximidamide;hydroiodide
CID 109490291
N-methyl-3-[[[N-methyl-C-(3-methyl-3-propylpiperidin-1-yl)carbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 109490146
N',3,3-trimethyl-N-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboximidamide
CID 111738840
N',3-dimethyl-3-propyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-1-carboximidamide;hydroiodide
CID 109490883
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859690
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111136686

Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide (CID 109490441) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is CCCC1(C)CCCN(/C(=N/C)NCc2ccc(-n3ccnc3)nc2)C1.I.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is MASGXGIULRWZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6.HI/c1-4-8-20(2)9-5-11-25(15-20)19(21-3)24-14-17-6-7-18(23-13-17)26-12-10-22-16-26;/h6-7,10,12-13,16H,4-5,8-9,11,14-15H2,1-3H3,(H,21,24);1H.
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 482.41 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-N',3-dimethyl-3-propylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109490441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).