N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

C16H23BrIN5 — CID 119130839

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)N1CCC(C)CC1.I
InChIInChI=1S/C16H22BrN5.HI/c1-12-5-7-21(8-6-12)16(18-2)19-9-14-11-22-10-13(17)3-4-15(22)20-14;/h3-4,10-12H,5-9H2,1-2H3,(H,18,19);1H
InChIKeyREHIWYDZRCIHFV-UHFFFAOYSA-N
MW492.20 g/mol
LogP3.52
Rot. Bonds2

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (PubChem CID 119130839) has the molecular formula C16H23BrIN5 and a molecular weight of 492.20 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
PubChem CID119130839
Molecular FormulaC16H23BrIN5
Molecular Weight492.20 g/mol
Exact Mass491.02
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCc1cn2cc(Br)ccc2n1)N1CCC(C)CC1.I
InChIInChI=1S/C16H22BrN5.HI/c1-12-5-7-21(8-6-12)16(18-2)19-9-14-11-22-10-13(17)3-4-15(22)20-14;/h3-4,10-12H,5-9H2,1-2H3,(H,18,19);1H
InChIKeyREHIWYDZRCIHFV-UHFFFAOYSA-N
XLogP3.52
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.20
LogP ≤ 53.52
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-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114616
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109426711
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(2-hydroxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111185647
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethyl-N'-methylthiomorpholine-4-carboximidamide;hydroiodide
CID 109485979
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168072
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130101
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-cyclopentyl-2-methylguanidine
CID 110992695
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopropylpyrrolidin-3-yl)-2-methylguanidine
CID 119150165
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(1-cyclopentylpyrrolidin-3-yl)-2-methylguanidine;hydroiodide
CID 111919370
N-[(6-methoxy-2-pyridinyl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 111211506
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110971174
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111075368

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide (CID 119130839) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is C/N=C(/NCc1cn2cc(Br)ccc2n1)N1CCC(C)CC1.I.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
The InChIKey is REHIWYDZRCIHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN5.HI/c1-12-5-7-21(8-6-12)16(18-2)19-9-14-11-22-10-13(17)3-4-15(22)20-14;/h3-4,10-12H,5-9H2,1-2H3,(H,18,19);1H.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide has a molecular weight of 492.20 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119130839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).