5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid

C13H18N2O4 — CID 82535182

IUPAC5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid
SMILESCOC(=O)CCCCCNc1cncc(C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-19-12(16)5-3-2-4-6-15-11-7-10(13(17)18)8-14-9-11/h7-9,15H,2-6H2,1H3,(H,17,18)
InChIKeyPIJOJXVDURJKQK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.93
Rot. Bonds8

About 5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid

5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 82535182) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid
PubChem CID82535182
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid
SMILESCOC(=O)CCCCCNc1cncc(C(=O)O)c1
InChIInChI=1S/C13H18N2O4/c1-19-12(16)5-3-2-4-6-15-11-7-10(13(17)18)8-14-9-11/h7-9,15H,2-6H2,1H3,(H,17,18)
InChIKeyPIJOJXVDURJKQK-UHFFFAOYSA-N
XLogP1.93
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
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-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid (CID 82535182) is 5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid is COC(=O)CCCCCNc1cncc(C(=O)O)c1.
What is the InChIKey of 5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is PIJOJXVDURJKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-19-12(16)5-3-2-4-6-15-11-7-10(13(17)18)8-14-9-11/h7-9,15H,2-6H2,1H3,(H,17,18).
What are the key properties of 5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid?
5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methoxy-6-oxohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 82535182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).