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

C19H19NO7 — CID 71253118

IUPAC5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
SMILESCOC(=O)c1ccc(CCc2nc(C)c(O)c(C(=O)O)c2C(=O)OC)cc1
InChIInChI=1S/C19H19NO7/c1-10-16(21)15(17(22)23)14(19(25)27-3)13(20-10)9-6-11-4-7-12(8-5-11)18(24)26-2/h4-5,7-8,21H,6,9H2,1-3H3,(H,22,23)
InChIKeyMFSTUBIYTNQNMG-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.15
Rot. Bonds6

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

5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid (PubChem CID 71253118) has the molecular formula C19H19NO7 and a molecular weight of 373.36 g/mol. Its IUPAC name is 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
PubChem CID71253118
Molecular FormulaC19H19NO7
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
SMILESCOC(=O)c1ccc(CCc2nc(C)c(O)c(C(=O)O)c2C(=O)OC)cc1
InChIInChI=1S/C19H19NO7/c1-10-16(21)15(17(22)23)14(19(25)27-3)13(20-10)9-6-11-4-7-12(8-5-11)18(24)26-2/h4-5,7-8,21H,6,9H2,1-3H3,(H,22,23)
InChIKeyMFSTUBIYTNQNMG-UHFFFAOYSA-N
XLogP2.15
TPSA123.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxyphenyl)ethyl]-6-methylpyridine-4-carboxylic acid
CID 71252696
methyl 4-[3-(4-methoxycarbonylphenyl)propyl]benzoate
CID 4063050
3-(4-methoxycarbonylphenyl)propanoic acid
CID 22716688
5-hydroxy-2-[2-(4-methoxyphenyl)ethyl]-6-(2-methylsulfonylethyl)pyridine-3,4-dicarboxylic acid
CID 135331436
methyl 4-[2-[5-hydroxy-6-(3-methoxy-3-oxopropyl)-2-pyridinyl]ethyl]benzoate
CID 54343261
2-methoxycarbonyl-3,6-dimethylbenzoic acid
CID 103845883
methyl 4-(2-pyridin-3-ylethyl)benzoate
CID 19419104
methyl 4-[2-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]ethyl]benzoate
CID 139744684
2-(4-methoxycarbonylphenyl)acetic acid
CID 10797879
2-(4-methoxycarbonylphenyl)ethanesulfonic acid
CID 46835733
3-(4-methoxycarbonylphenyl)propylazanium
CID 154715672
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid?
The IUPAC name of 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid (CID 71253118) is 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid.
What is the SMILES notation for 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid?
The canonical SMILES for 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid is COC(=O)c1ccc(CCc2nc(C)c(O)c(C(=O)O)c2C(=O)OC)cc1.
What is the InChIKey of 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid?
The InChIKey is MFSTUBIYTNQNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO7/c1-10-16(21)15(17(22)23)14(19(25)27-3)13(20-10)9-6-11-4-7-12(8-5-11)18(24)26-2/h4-5,7-8,21H,6,9H2,1-3H3,(H,22,23).
What are the key properties of 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid?
5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid has a molecular weight of 373.36 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-methoxycarbonyl-2-[2-(4-methoxycarbonylphenyl)ethyl]-6-methylpyridine-4-carboxylic acid is sourced from PubChem (CID 71253118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).