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

C23H22N2O4 — CID 90252673

IUPAC5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(OC(C)c3ccc(C(C)=O)cc3)c2)cc1
InChIInChI=1S/C23H22N2O4/c1-15(26)17-4-6-18(7-5-17)16(2)29-22-12-19(13-24-14-22)23(27)25-20-8-10-21(28-3)11-9-20/h4-14,16H,1-3H3,(H,25,27)
InChIKeyDGLBSHPBHOTTKK-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.69
Rot. Bonds7

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

5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 90252673) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide
PubChem CID90252673
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(OC(C)c3ccc(C(C)=O)cc3)c2)cc1
InChIInChI=1S/C23H22N2O4/c1-15(26)17-4-6-18(7-5-17)16(2)29-22-12-19(13-24-14-22)23(27)25-20-8-10-21(28-3)11-9-20/h4-14,16H,1-3H3,(H,25,27)
InChIKeyDGLBSHPBHOTTKK-UHFFFAOYSA-N
XLogP4.69
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide (CID 90252673) is 5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(OC(C)c3ccc(C(C)=O)cc3)c2)cc1.
What is the InChIKey of 5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is DGLBSHPBHOTTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(26)17-4-6-18(7-5-17)16(2)29-22-12-19(13-24-14-22)23(27)25-20-8-10-21(28-3)11-9-20/h4-14,16H,1-3H3,(H,25,27).
What are the key properties of 5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide?
5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-acetylphenyl)ethoxy]-N-(4-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 90252673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).