5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide

C22H19BrN2O3 — CID 90252687

IUPAC5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(C(C)Oc2cncc(C(=O)Nc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-14(26)16-3-5-17(6-4-16)15(2)28-21-11-18(12-24-13-21)22(27)25-20-9-7-19(23)8-10-20/h3-13,15H,1-2H3,(H,25,27)
InChIKeyJMNXCNBTZRBGBI-UHFFFAOYSA-N
MW439.31 g/mol
LogP5.44
Rot. Bonds6

About 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide

5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide (PubChem CID 90252687) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide
PubChem CID90252687
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide
SMILESCC(=O)c1ccc(C(C)Oc2cncc(C(=O)Nc3ccc(Br)cc3)c2)cc1
InChIInChI=1S/C22H19BrN2O3/c1-14(26)16-3-5-17(6-4-16)15(2)28-21-11-18(12-24-13-21)22(27)25-20-9-7-19(23)8-10-20/h3-13,15H,1-2H3,(H,25,27)
InChIKeyJMNXCNBTZRBGBI-UHFFFAOYSA-N
XLogP5.44
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.31
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 90252673
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
5-bromo-N-(4-butan-2-ylphenyl)pyridine-3-carboxamide
CID 60628517
N-(4-acetylphenyl)pyrimidine-5-carboxamide
CID 110466848
N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239442
N-(4-acetylphenyl)-3-bromo-4-propan-2-yloxybenzamide
CID 17355171
N-(4-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239425
5-(4-propan-2-ylanilino)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109243870
3-N-phenyl-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109107769
5-bromo-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 835761
N-(4-bromophenyl)-5-(4-methylanilino)pyridine-3-carboxamide
CID 109242129
N-(4-acetylphenyl)-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109243797

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide (CID 90252687) is 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide is CC(=O)c1ccc(C(C)Oc2cncc(C(=O)Nc3ccc(Br)cc3)c2)cc1.
What is the InChIKey of 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide?
The InChIKey is JMNXCNBTZRBGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c1-14(26)16-3-5-17(6-4-16)15(2)28-21-11-18(12-24-13-21)22(27)25-20-9-7-19(23)8-10-20/h3-13,15H,1-2H3,(H,25,27).
What are the key properties of 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide?
5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide has a molecular weight of 439.31 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-acetylphenyl)ethoxy]-N-(4-bromophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 90252687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).