4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid

C17H18N2O5 — CID 119185550

IUPAC4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
SMILESCCc1ccc(C2COCCN2C(=O)c2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C17H18N2O5/c1-2-12-3-4-15(24-12)14-10-23-8-7-19(14)16(20)11-5-6-18-13(9-11)17(21)22/h3-6,9,14H,2,7-8,10H2,1H3,(H,21,22)
InChIKeyNEAQXQRURKAUEY-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.15
Rot. Bonds4

About 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid

4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119185550) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
PubChem CID119185550
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid
SMILESCCc1ccc(C2COCCN2C(=O)c2ccnc(C(=O)O)c2)o1
InChIInChI=1S/C17H18N2O5/c1-2-12-3-4-15(24-12)14-10-23-8-7-19(14)16(20)11-5-6-18-13(9-11)17(21)22/h3-6,9,14H,2,7-8,10H2,1H3,(H,21,22)
InChIKeyNEAQXQRURKAUEY-UHFFFAOYSA-N
XLogP2.15
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid (CID 119185550) is 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid is CCc1ccc(C2COCCN2C(=O)c2ccnc(C(=O)O)c2)o1.
What is the InChIKey of 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is NEAQXQRURKAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-2-12-3-4-15(24-12)14-10-23-8-7-19(14)16(20)11-5-6-18-13(9-11)17(21)22/h3-6,9,14H,2,7-8,10H2,1H3,(H,21,22).
What are the key properties of 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid?
4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-ethylfuran-2-yl)morpholine-4-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119185550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).