(4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

C14H15NO4 — CID 86325180

IUPAC(4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESCOc1ccc([C@H]2CC(=O)NC(C)=C2C(=O)O)cc1
InChIInChI=1S/C14H15NO4/c1-8-13(14(17)18)11(7-12(16)15-8)9-3-5-10(19-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyWFQNCIMKHZOHGA-LLVKDONJSA-N
MW261.28 g/mol
LogP1.66
Rot. Bonds3

About (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid

(4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (PubChem CID 86325180) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
PubChem CID86325180
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid
SMILESCOc1ccc([C@H]2CC(=O)NC(C)=C2C(=O)O)cc1
InChIInChI=1S/C14H15NO4/c1-8-13(14(17)18)11(7-12(16)15-8)9-3-5-10(19-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1
InChIKeyWFQNCIMKHZOHGA-LLVKDONJSA-N
XLogP1.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The IUPAC name of (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid (CID 86325180) is (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid.
What is the SMILES notation for (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The canonical SMILES for (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is COc1ccc([C@H]2CC(=O)NC(C)=C2C(=O)O)cc1.
What is the InChIKey of (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
The InChIKey is WFQNCIMKHZOHGA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8-13(14(17)18)11(7-12(16)15-8)9-3-5-10(19-2)6-4-9/h3-6,11H,7H2,1-2H3,(H,15,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid?
(4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylic acid is sourced from PubChem (CID 86325180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).