5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid

C12H17NO5 — CID 114201541

IUPAC5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid
SMILESCOCCCCn1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C12H17NO5/c1-17-6-4-3-5-13-8-11(18-2)10(14)7-9(13)12(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyOMTYICAYINWEMY-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.98
Rot. Bonds7

About 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid

5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid (PubChem CID 114201541) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid
PubChem CID114201541
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid
SMILESCOCCCCn1cc(OC)c(=O)cc1C(=O)O
InChIInChI=1S/C12H17NO5/c1-17-6-4-3-5-13-8-11(18-2)10(14)7-9(13)12(15)16/h7-8H,3-6H2,1-2H3,(H,15,16)
InChIKeyOMTYICAYINWEMY-UHFFFAOYSA-N
XLogP0.98
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid (CID 114201541) is 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid is COCCCCn1cc(OC)c(=O)cc1C(=O)O.
What is the InChIKey of 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid?
The InChIKey is OMTYICAYINWEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-17-6-4-3-5-13-8-11(18-2)10(14)7-9(13)12(15)16/h7-8H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid?
5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid has a molecular weight of 255.27 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-methoxybutyl)-4-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 114201541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).