6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

C16H18N2O3 — CID 71282056

IUPAC6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N2O3/c1-4-10-9-13(16(20)21)15(19)17-14(10)11-5-7-12(8-6-11)18(2)3/h5-9H,4H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyLJBIZVWKCFCWFF-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.37
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid

6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 71282056) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID71282056
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H18N2O3/c1-4-10-9-13(16(20)21)15(19)17-14(10)11-5-7-12(8-6-11)18(2)3/h5-9H,4H2,1-3H3,(H,17,19)(H,20,21)
InChIKeyLJBIZVWKCFCWFF-UHFFFAOYSA-N
XLogP2.37
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid (CID 71282056) is 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc(N(C)C)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is LJBIZVWKCFCWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-4-10-9-13(16(20)21)15(19)17-14(10)11-5-7-12(8-6-11)18(2)3/h5-9H,4H2,1-3H3,(H,17,19)(H,20,21).
What are the key properties of 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid?
6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 71282056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).