4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

C13H16N2O5 — CID 66236943

IUPAC4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(C(=O)N(C)C2COCC2C(=O)O)cn1
InChIInChI=1S/C13H16N2O5/c1-15(10-7-20-6-9(10)13(17)18)12(16)8-3-4-11(19-2)14-5-8/h3-5,9-10H,6-7H2,1-2H3,(H,17,18)
InChIKeyXUTLDIFLICMNJR-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.26
Rot. Bonds4

About 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid

4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66236943) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66236943
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid
SMILESCOc1ccc(C(=O)N(C)C2COCC2C(=O)O)cn1
InChIInChI=1S/C13H16N2O5/c1-15(10-7-20-6-9(10)13(17)18)12(16)8-3-4-11(19-2)14-5-8/h3-5,9-10H,6-7H2,1-2H3,(H,17,18)
InChIKeyXUTLDIFLICMNJR-UHFFFAOYSA-N
XLogP0.26
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-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-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid (CID 66236943) is 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is COc1ccc(C(=O)N(C)C2COCC2C(=O)O)cn1.
What is the InChIKey of 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is XUTLDIFLICMNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-15(10-7-20-6-9(10)13(17)18)12(16)8-3-4-11(19-2)14-5-8/h3-5,9-10H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid?
4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxypyridine-3-carbonyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).