N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide

C19H19BrN4O3 — CID 55976908

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCN(C)C(=O)COc1cccc(C(=O)NCc2cn3cc(Br)ccc3n2)c1
InChIInChI=1S/C19H19BrN4O3/c1-23(2)18(25)12-27-16-5-3-4-13(8-16)19(26)21-9-15-11-24-10-14(20)6-7-17(24)22-15/h3-8,10-11H,9,12H2,1-2H3,(H,21,26)
InChIKeyBQPHONVARDPLMI-UHFFFAOYSA-N
MW431.29 g/mol
LogP2.49
Rot. Bonds6

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide (PubChem CID 55976908) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
PubChem CID55976908
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
SMILESCN(C)C(=O)COc1cccc(C(=O)NCc2cn3cc(Br)ccc3n2)c1
InChIInChI=1S/C19H19BrN4O3/c1-23(2)18(25)12-27-16-5-3-4-13(8-16)19(26)21-9-15-11-24-10-14(20)6-7-17(24)22-15/h3-8,10-11H,9,12H2,1-2H3,(H,21,26)
InChIKeyBQPHONVARDPLMI-UHFFFAOYSA-N
XLogP2.49
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3,4,5-triethoxybenzamide
CID 55976377
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 95140224
N-ethyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 51112147
N-[(4-methoxyphenyl)methyl]-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 24617007
N-(1,3-benzothiazol-2-ylmethyl)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 38136061
3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-propylbenzamide
CID 30661051
1-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[3-(3-methoxypropoxy)phenyl]-2-methylguanidine
CID 109461098
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)benzamide
CID 8917100
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-chloro-4-fluorophenoxy)acetamide
CID 55976005
N-(2-methoxyethyl)-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134024136
methyl 2-[[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]amino]acetate
CID 52552732
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55976375

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide (CID 55976908) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide is CN(C)C(=O)COc1cccc(C(=O)NCc2cn3cc(Br)ccc3n2)c1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
The InChIKey is BQPHONVARDPLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-23(2)18(25)12-27-16-5-3-4-13(8-16)19(26)21-9-15-11-24-10-14(20)6-7-17(24)22-15/h3-8,10-11H,9,12H2,1-2H3,(H,21,26).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide has a molecular weight of 431.29 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-3-[2-(dimethylamino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 55976908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).