6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid

C11H12N2O5 — CID 13216305

IUPAC6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(C(=O)N2CCOCC2)cc1=O
InChIInChI=1S/C11H12N2O5/c14-9-5-8(12-6-7(9)11(16)17)10(15)13-1-3-18-4-2-13/h5-6H,1-4H2,(H,12,14)(H,16,17)
InChIKeyNDHCZAGXUCVNJK-UHFFFAOYSA-N
MW252.23 g/mol
LogP-0.45
Rot. Bonds2

About 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid

6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 13216305) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid
PubChem CID13216305
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(C(=O)N2CCOCC2)cc1=O
InChIInChI=1S/C11H12N2O5/c14-9-5-8(12-6-7(9)11(16)17)10(15)13-1-3-18-4-2-13/h5-6H,1-4H2,(H,12,14)(H,16,17)
InChIKeyNDHCZAGXUCVNJK-UHFFFAOYSA-N
XLogP-0.45
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid (CID 13216305) is 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(C(=O)N2CCOCC2)cc1=O.
What is the InChIKey of 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is NDHCZAGXUCVNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-9-5-8(12-6-7(9)11(16)17)10(15)13-1-3-18-4-2-13/h5-6H,1-4H2,(H,12,14)(H,16,17).
What are the key properties of 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid?
6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 13216305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).