5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

C20H23NO7 — CID 165489373

IUPAC5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H23NO7/c1-20(2,3)28-16(22)11-21-10-12(9-13(18(21)23)19(24)25)17-14(26-4)7-6-8-15(17)27-5/h6-10H,11H2,1-5H3,(H,24,25)
InChIKeyRNBPTVXLQHMJMF-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.57
Rot. Bonds6

About 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid

5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (PubChem CID 165489373) has the molecular formula C20H23NO7 and a molecular weight of 389.40 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
PubChem CID165489373
Molecular FormulaC20H23NO7
Molecular Weight389.40 g/mol
Exact Mass389.15
IUPAC Name5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid
SMILESCOc1cccc(OC)c1-c1cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c1
InChIInChI=1S/C20H23NO7/c1-20(2,3)28-16(22)11-21-10-12(9-13(18(21)23)19(24)25)17-14(26-4)7-6-8-15(17)27-5/h6-10H,11H2,1-5H3,(H,24,25)
InChIKeyRNBPTVXLQHMJMF-UHFFFAOYSA-N
XLogP2.57
TPSA104.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid (CID 165489373) is 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is COc1cccc(OC)c1-c1cc(C(=O)O)c(=O)n(CC(=O)OC(C)(C)C)c1.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
The InChIKey is RNBPTVXLQHMJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO7/c1-20(2,3)28-16(22)11-21-10-12(9-13(18(21)23)19(24)25)17-14(26-4)7-6-8-15(17)27-5/h6-10H,11H2,1-5H3,(H,24,25).
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid?
5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid has a molecular weight of 389.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 165489373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).