1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid

C15H22N2O4 — CID 82099993

IUPAC1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ccc(C(=O)O)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C15H22N2O4/c1-11(2)13-4-3-12(15(19)20)14(18)17(13)6-5-16-7-9-21-10-8-16/h3-4,11H,5-10H2,1-2H3,(H,19,20)
InChIKeyBXOFMBBCVOMUKL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.00
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid

1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid (PubChem CID 82099993) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid
PubChem CID82099993
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid
SMILESCC(C)c1ccc(C(=O)O)c(=O)n1CCN1CCOCC1
InChIInChI=1S/C15H22N2O4/c1-11(2)13-4-3-12(15(19)20)14(18)17(13)6-5-16-7-9-21-10-8-16/h3-4,11H,5-10H2,1-2H3,(H,19,20)
InChIKeyBXOFMBBCVOMUKL-UHFFFAOYSA-N
XLogP1.00
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid (CID 82099993) is 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid is CC(C)c1ccc(C(=O)O)c(=O)n1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid?
The InChIKey is BXOFMBBCVOMUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-11(2)13-4-3-12(15(19)20)14(18)17(13)6-5-16-7-9-21-10-8-16/h3-4,11H,5-10H2,1-2H3,(H,19,20).
What are the key properties of 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid?
1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-2-oxo-6-propan-2-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 82099993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).