5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid

C18H19NO6 — CID 71252696

IUPAC5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
SMILESCOC(=O)c1c(CCc2ccc(OC)cc2)nc(C)c(O)c1C(=O)O
InChIInChI=1S/C18H19NO6/c1-10-16(20)15(17(21)22)14(18(23)25-3)13(19-10)9-6-11-4-7-12(24-2)8-5-11/h4-5,7-8,20H,6,9H2,1-3H3,(H,21,22)
InChIKeyRQBINDRNOQUCNS-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.37
Rot. Bonds6

About 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid

5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid (PubChem CID 71252696) has the molecular formula C18H19NO6 and a molecular weight of 345.35 g/mol. Its IUPAC name is 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
PubChem CID71252696
Molecular FormulaC18H19NO6
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
SMILESCOC(=O)c1c(CCc2ccc(OC)cc2)nc(C)c(O)c1C(=O)O
InChIInChI=1S/C18H19NO6/c1-10-16(20)15(17(21)22)14(18(23)25-3)13(19-10)9-6-11-4-7-12(24-2)8-5-11/h4-5,7-8,20H,6,9H2,1-3H3,(H,21,22)
InChIKeyRQBINDRNOQUCNS-UHFFFAOYSA-N
XLogP2.37
TPSA105.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
CID 71253118
5-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-6-(2-methylsulfonylethyl)pyridine-3,4-dicarboxylic acid
CID 135331436
methyl 2,3-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]benzoate
CID 100964020
methyl 3,4-dihydroxy-6-[2-(4-methoxyphenyl)ethyl]-2-methylbenzoate
CID 175431857
ethyl (E)-3-[5-hydroxy-4-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-3-pyridinyl]prop-2-enoate
CID 71261040
5-hydroxy-2-[4-(4-methoxyphenyl)-2,2-dimethylbutyl]-6-phenylpyridine-3,4-dicarboxylic acid
CID 175920758
5-[2-(4-methoxyphenyl)ethyl]benzene-1,3-dicarboxylic acid
CID 174499523
methyl 5-hydroxy-2-(4-methoxyphenyl)-3-methyl-6-propylpyridine-4-carboxylate
CID 175431840
methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
N-[3-[2-(4-methoxyphenyl)ethyl]-5-methyl-1H-pyrazol-4-yl]acetamide
CID 42686342
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid (CID 71252696) is 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid is COC(=O)c1c(CCc2ccc(OC)cc2)nc(C)c(O)c1C(=O)O.
What is the InChIKey of 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid?
The InChIKey is RQBINDRNOQUCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO6/c1-10-16(20)15(17(21)22)14(18(23)25-3)13(19-10)9-6-11-4-7-12(24-2)8-5-11/h4-5,7-8,20H,6,9H2,1-3H3,(H,21,22).
What are the key properties of 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid?
5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid has a molecular weight of 345.35 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 71252696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).