N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide

C21H24BrN3O4 — CID 55976377

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2cn3cc(Br)ccc3n2)cc(OCC)c1OCC
InChIInChI=1S/C21H24BrN3O4/c1-4-27-17-9-14(10-18(28-5-2)20(17)29-6-3)21(26)23-11-16-13-25-12-15(22)7-8-19(25)24-16/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,26)
InChIKeyINFNIYHFOFDAOF-UHFFFAOYSA-N
MW462.34 g/mol
LogP4.22
Rot. Bonds9

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide (PubChem CID 55976377) has the molecular formula C21H24BrN3O4 and a molecular weight of 462.34 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
PubChem CID55976377
Molecular FormulaC21H24BrN3O4
Molecular Weight462.34 g/mol
Exact Mass461.10
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCc2cn3cc(Br)ccc3n2)cc(OCC)c1OCC
InChIInChI=1S/C21H24BrN3O4/c1-4-27-17-9-14(10-18(28-5-2)20(17)29-6-3)21(26)23-11-16-13-25-12-15(22)7-8-19(25)24-16/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,26)
InChIKeyINFNIYHFOFDAOF-UHFFFAOYSA-N
XLogP4.22
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide 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

3,4,5-triethoxy-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917080
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043857
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55976908
N-[3-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methylamino]-3-oxopropyl]-4-chlorobenzamide
CID 55977015
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 55977403
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95140224
1-(3-bromo-4-ethoxy-5-methoxyphenyl)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]methanamine
CID 55870227
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47067642
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 55976642
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55976375
(2Z,4E)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]hexa-2,4-dienamide
CID 94195880

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide (CID 55976377) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NCc2cn3cc(Br)ccc3n2)cc(OCC)c1OCC.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide?
The InChIKey is INFNIYHFOFDAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O4/c1-4-27-17-9-14(10-18(28-5-2)20(17)29-6-3)21(26)23-11-16-13-25-12-15(22)7-8-19(25)24-16/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,26).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide has a molecular weight of 462.34 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide is sourced from PubChem (CID 55976377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).