6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid

C16H15NO4 — CID 21293535

IUPAC6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1[nH]c(=O)c(C(=O)O)cc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H15NO4/c1-3-13-11(8-12(16(20)21)15(19)17-13)14(18)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyQINXKQDVNANTGF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.17
Rot. Bonds4

About 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid

6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 21293535) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID21293535
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1[nH]c(=O)c(C(=O)O)cc1C(=O)c1ccc(C)cc1
InChIInChI=1S/C16H15NO4/c1-3-13-11(8-12(16(20)21)15(19)17-13)14(18)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyQINXKQDVNANTGF-UHFFFAOYSA-N
XLogP2.17
TPSA87.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 21293535) is 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1[nH]c(=O)c(C(=O)O)cc1C(=O)c1ccc(C)cc1.
What is the InChIKey of 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is QINXKQDVNANTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-3-13-11(8-12(16(20)21)15(19)17-13)14(18)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid?
6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-(4-methylbenzoyl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 21293535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).