1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

C16H17NO3 — CID 82123881

IUPAC1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(-n2c(C)cc(C)c(C(=O)O)c2=O)cc1
InChIInChI=1S/C16H17NO3/c1-4-12-5-7-13(8-6-12)17-11(3)9-10(2)14(15(17)18)16(19)20/h5-9H,4H2,1-3H3,(H,19,20)
InChIKeyMMDIOYMQBHLRCL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.71
Rot. Bonds3

About 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 82123881) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
PubChem CID82123881
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
SMILESCCc1ccc(-n2c(C)cc(C)c(C(=O)O)c2=O)cc1
InChIInChI=1S/C16H17NO3/c1-4-12-5-7-13(8-6-12)17-11(3)9-10(2)14(15(17)18)16(19)20/h5-9H,4H2,1-3H3,(H,19,20)
InChIKeyMMDIOYMQBHLRCL-UHFFFAOYSA-N
XLogP2.71
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 82123881) is 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is CCc1ccc(-n2c(C)cc(C)c(C(=O)O)c2=O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
The InChIKey is MMDIOYMQBHLRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-4-12-5-7-13(8-6-12)17-11(3)9-10(2)14(15(17)18)16(19)20/h5-9H,4H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?
1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 82123881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).