2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid

C20H19NO4 — CID 118759654

IUPAC2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid
SMILESCOCc1c(C(=O)O)c(=O)cc(C)n1Cc1cccc2ccccc12
InChIInChI=1S/C20H19NO4/c1-13-10-18(22)19(20(23)24)17(12-25-2)21(13)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10H,11-12H2,1-2H3,(H,23,24)
InChIKeyBZCKQEXXJJSLFH-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.20
Rot. Bonds5

About 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid

2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid (PubChem CID 118759654) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid
PubChem CID118759654
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid
SMILESCOCc1c(C(=O)O)c(=O)cc(C)n1Cc1cccc2ccccc12
InChIInChI=1S/C20H19NO4/c1-13-10-18(22)19(20(23)24)17(12-25-2)21(13)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10H,11-12H2,1-2H3,(H,23,24)
InChIKeyBZCKQEXXJJSLFH-UHFFFAOYSA-N
XLogP3.20
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid?
The IUPAC name of 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid (CID 118759654) is 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid is COCc1c(C(=O)O)c(=O)cc(C)n1Cc1cccc2ccccc12.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid?
The InChIKey is BZCKQEXXJJSLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-10-18(22)19(20(23)24)17(12-25-2)21(13)11-15-8-5-7-14-6-3-4-9-16(14)15/h3-10H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid?
2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-1-(naphthalen-1-ylmethyl)-4-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 118759654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).