N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

C20H20BrN3O3 — CID 60551625

IUPACN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCc2cn3cc(Br)ccc3n2)c(OC)c1
InChIInChI=1S/C20H20BrN3O3/c1-3-4-14-5-7-17(18(9-14)26-2)27-13-20(25)22-10-16-12-24-11-15(21)6-8-19(24)23-16/h3,5-9,11-12H,1,4,10,13H2,2H3,(H,22,25)
InChIKeyPOGMGOHVHBYFSG-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.53
Rot. Bonds8

About N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide

N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (PubChem CID 60551625) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
PubChem CID60551625
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
SMILESC=CCc1ccc(OCC(=O)NCc2cn3cc(Br)ccc3n2)c(OC)c1
InChIInChI=1S/C20H20BrN3O3/c1-3-4-14-5-7-17(18(9-14)26-2)27-13-20(25)22-10-16-12-24-11-15(21)6-8-19(24)23-16/h3,5-9,11-12H,1,4,10,13H2,2H3,(H,22,25)
InChIKeyPOGMGOHVHBYFSG-UHFFFAOYSA-N
XLogP3.53
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78799662
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51305991
2-(2-benzylphenoxy)-N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 55975996
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
N-[2-(3-bromophenoxy)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 60549237
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 33105392
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 18084109
N-(2-bromophenyl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26216414
2-(2-methoxy-4-prop-2-enylphenoxy)-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 46449126
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 26423489
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]pentanamide
CID 47343482

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide (CID 60551625) is N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is C=CCc1ccc(OCC(=O)NCc2cn3cc(Br)ccc3n2)c(OC)c1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
The InChIKey is POGMGOHVHBYFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-3-4-14-5-7-17(18(9-14)26-2)27-13-20(25)22-10-16-12-24-11-15(21)6-8-19(24)23-16/h3,5-9,11-12H,1,4,10,13H2,2H3,(H,22,25).
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide?
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide has a molecular weight of 430.30 g/mol, XLogP of 3.53, 8 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]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide is sourced from PubChem (CID 60551625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).