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

C29H26N2O5 — CID 19118199

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(CCn2c(O)c(C(=O)Cc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1OC
InChIInChI=1S/C29H26N2O5/c1-18-23(17-30)28(33)31(14-13-19-11-12-25(35-2)26(15-19)36-3)29(34)27(18)24(32)16-21-9-6-8-20-7-4-5-10-22(20)21/h4-12,15,34H,13-14,16H2,1-3H3
InChIKeyRQZUXOITGZZAIB-UHFFFAOYSA-N
MW482.54 g/mol
LogP4.57
Rot. Bonds8

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

1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile (PubChem CID 19118199) has the molecular formula C29H26N2O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile
PubChem CID19118199
Molecular FormulaC29H26N2O5
Molecular Weight482.54 g/mol
Exact Mass482.18
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile
SMILESCOc1ccc(CCn2c(O)c(C(=O)Cc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1OC
InChIInChI=1S/C29H26N2O5/c1-18-23(17-30)28(33)31(14-13-19-11-12-25(35-2)26(15-19)36-3)29(34)27(18)24(32)16-21-9-6-8-20-7-4-5-10-22(20)21/h4-12,15,34H,13-14,16H2,1-3H3
InChIKeyRQZUXOITGZZAIB-UHFFFAOYSA-N
XLogP4.57
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-[2-(4-methoxyphenoxy)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118180
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(3-methylbenzoyl)-2-oxopyridine-3-carbonitrile
CID 19118144
5-(3-butoxybenzoyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118218
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(4-nitrobenzoyl)-2-oxopyridine-3-carbonitrile
CID 19118164
6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxo-5-(3,4,5-trimethoxybenzoyl)pyridine-3-carbonitrile
CID 19118045
5-[2-(3,4-dimethylphenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118077
1-benzyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116765
5-(3-chlorobenzoyl)-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118089
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-2-oxo-5-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoyl]pyridine-3-carbonitrile
CID 19118259
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-[3-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoyl]-2-oxopyridine-3-carbonitrile
CID 19118265
1-hexyl-6-hydroxy-5-[2-(4-methoxyphenyl)acetyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118774
5-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-6-hydroxy-1-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-oxopyridine-3-carbonitrile
CID 19118075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile (CID 19118199) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile is COc1ccc(CCn2c(O)c(C(=O)Cc3cccc4ccccc34)c(C)c(C#N)c2=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is RQZUXOITGZZAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O5/c1-18-23(17-30)28(33)31(14-13-19-11-12-25(35-2)26(15-19)36-3)29(34)27(18)24(32)16-21-9-6-8-20-7-4-5-10-22(20)21/h4-12,15,34H,13-14,16H2,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile?
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 482.54 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-4-methyl-5-(2-naphthalen-1-ylacetyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 19118199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).