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

C13H19NO4 — CID 114201516

IUPAC5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid
SMILESCCC(C(C)C)n1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-5-9(8(2)3)14-7-12(18-4)11(15)6-10(14)13(16)17/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyZZIQZJXRTGXKOU-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.16
Rot. Bonds5

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

5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid (PubChem CID 114201516) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid
PubChem CID114201516
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid
SMILESCCC(C(C)C)n1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C13H19NO4/c1-5-9(8(2)3)14-7-12(18-4)11(15)6-10(14)13(16)17/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeyZZIQZJXRTGXKOU-UHFFFAOYSA-N
XLogP2.16
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-amino-2-methyl-1-oxopropan-2-yl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201547
5-methoxy-1-(1-methoxy-2-methylpropan-2-yl)-4-oxopyridine-2-carboxylic acid
CID 114201597
4-acetyl-1-butan-2-ylpyrrole-2-carboxylic acid
CID 114603028
5-methoxy-4-oxo-1-(3-sulfamoylpropyl)pyridine-2-carboxylic acid
CID 114201546
1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201623
1-(3-bromophenyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201468
1-butan-2-yl-4-oxoquinoline-2-carboxylic acid
CID 82244126
1-butan-2-yl-8-fluoro-4-oxoquinoline-2-carboxylic acid
CID 82246537
6-[3-carboxy-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinolin-6-yl]-1-[(2S)-1-hydroxy-3-methylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 69032197
4-chloro-1-(1-methoxybutan-2-yl)pyrrole-2-carboxylic acid
CID 114605632
2,5-dimethyl-1-(2-methylpentan-3-yl)pyrrole-3-carboxylic acid
CID 61469102
6-bromo-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 66985892

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid (CID 114201516) is 5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid is CCC(C(C)C)n1cc(OC)c(=O)cc1C(=O)O.
What is the InChIKey of 5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid?
The InChIKey is ZZIQZJXRTGXKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-5-9(8(2)3)14-7-12(18-4)11(15)6-10(14)13(16)17/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of 5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid?
5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(2-methylpentan-3-yl)-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).