1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile

C26H26N2O7 — CID 19118180

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(CCc3ccc(OC)c(OC)c3)c2O)cc1
InChIInChI=1S/C26H26N2O7/c1-16-20(14-27)25(30)28(12-11-17-5-10-22(33-3)23(13-17)34-4)26(31)24(16)21(29)15-35-19-8-6-18(32-2)7-9-19/h5-10,13,31H,11-12,15H2,1-4H3
InChIKeyJZVQYPXEMODLKS-UHFFFAOYSA-N
MW478.50 g/mol
LogP3.26
Rot. Bonds10

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile

1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 19118180) has the molecular formula C26H26N2O7 and a molecular weight of 478.50 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
PubChem CID19118180
Molecular FormulaC26H26N2O7
Molecular Weight478.50 g/mol
Exact Mass478.17
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(CCc3ccc(OC)c(OC)c3)c2O)cc1
InChIInChI=1S/C26H26N2O7/c1-16-20(14-27)25(30)28(12-11-17-5-10-22(33-3)23(13-17)34-4)26(31)24(16)21(29)15-35-19-8-6-18(32-2)7-9-19/h5-10,13,31H,11-12,15H2,1-4H3
InChIKeyJZVQYPXEMODLKS-UHFFFAOYSA-N
XLogP3.26
TPSA120.01 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile (CID 19118180) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is COc1ccc(OCC(=O)c2c(C)c(C#N)c(=O)n(CCc3ccc(OC)c(OC)c3)c2O)cc1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is JZVQYPXEMODLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O7/c1-16-20(14-27)25(30)28(12-11-17-5-10-22(33-3)23(13-17)34-4)26(31)24(16)21(29)15-35-19-8-6-18(32-2)7-9-19/h5-10,13,31H,11-12,15H2,1-4H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile?
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 478.50 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19118180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).