N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide

C17H24BrN5 — CID 111143706

IUPACN'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cn2cc(Br)ccc2n1)N1CCCC(C)C1
InChIInChI=1S/C17H24BrN5/c1-3-19-17(22-8-4-5-13(2)10-22)20-9-15-12-23-11-14(18)6-7-16(23)21-15/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyXKPMEKKYLZRZEZ-UHFFFAOYSA-N
MW378.32 g/mol
LogP3.29
Rot. Bonds3

About N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide

N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide (PubChem CID 111143706) has the molecular formula C17H24BrN5 and a molecular weight of 378.32 g/mol. Its IUPAC name is N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
PubChem CID111143706
Molecular FormulaC17H24BrN5
Molecular Weight378.32 g/mol
Exact Mass377.12
IUPAC NameN'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide
SMILESCCN/C(=N\Cc1cn2cc(Br)ccc2n1)N1CCCC(C)C1
InChIInChI=1S/C17H24BrN5/c1-3-19-17(22-8-4-5-13(2)10-22)20-9-15-12-23-11-14(18)6-7-16(23)21-15/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,19,20)
InChIKeyXKPMEKKYLZRZEZ-UHFFFAOYSA-N
XLogP3.29
TPSA44.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.32
LogP ≤ 53.29
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'}

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Related Compounds

N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-(methoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111735642
6-bromo-2-[2-(3-methylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine
CID 123807348
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N',4-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130839
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110983079
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N'-methylpyrrolidine-1-carboximidamide
CID 119114616
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-N',3-dimethylpiperidine-1-carboximidamide;hydroiodide
CID 119130101
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(1,1-dioxothiolan-3-yl)-3-ethylguanidine
CID 111140181
N-ethyl-N'-[(4-fluorophenyl)methyl]-3-methylpiperidine-1-carboximidamide;hydroiodide
CID 111144647
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-prop-2-ynylguanidine;hydroiodide
CID 111849418
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530751
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111223669
2-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-1-ethyl-3-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109478031

Frequently Asked Questions

What is the IUPAC name of N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide?
The IUPAC name of N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide (CID 111143706) is N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide.
What is the SMILES notation for N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide?
The canonical SMILES for N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide is CCN/C(=N\Cc1cn2cc(Br)ccc2n1)N1CCCC(C)C1.
What is the InChIKey of N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide?
The InChIKey is XKPMEKKYLZRZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN5/c1-3-19-17(22-8-4-5-13(2)10-22)20-9-15-12-23-11-14(18)6-7-16(23)21-15/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,19,20).
What are the key properties of N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide?
N'-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-N-ethyl-3-methylpiperidine-1-carboximidamide has a molecular weight of 378.32 g/mol, XLogP of 3.29, 3 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-ethyl-3-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111143706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).