1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid

C14H21NO4 — CID 114201571

IUPAC1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCCC(CC)(CC)n1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-5-14(6-2,7-3)15-9-12(19-4)11(16)8-10(15)13(17)18/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyAYKKODUZARZLCE-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.48
Rot. Bonds6

About 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid

1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid (PubChem CID 114201571) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
PubChem CID114201571
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
SMILESCCC(CC)(CC)n1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C14H21NO4/c1-5-14(6-2,7-3)15-9-12(19-4)11(16)8-10(15)13(17)18/h8-9H,5-7H2,1-4H3,(H,17,18)
InChIKeyAYKKODUZARZLCE-UHFFFAOYSA-N
XLogP2.48
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid (CID 114201571) is 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid is CCC(CC)(CC)n1cc(OC)c(=O)cc1C(=O)O.
What is the InChIKey of 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
The InChIKey is AYKKODUZARZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-14(6-2,7-3)15-9-12(19-4)11(16)8-10(15)13(17)18/h8-9H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid?
1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).