[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

C10H10ClN3O4 — CID 2628770

IUPAC[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClN3O4/c1-12-10(17)14-8(15)5-18-9(16)6-2-3-7(11)13-4-6/h2-4H,5H2,1H3,(H2,12,14,15,17)
InChIKeyRORSRAUHZLKWDD-UHFFFAOYSA-N
MW271.66 g/mol
LogP0.35
Rot. Bonds3

About [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate

[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (PubChem CID 2628770) has the molecular formula C10H10ClN3O4 and a molecular weight of 271.66 g/mol. Its IUPAC name is [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
PubChem CID2628770
Molecular FormulaC10H10ClN3O4
Molecular Weight271.66 g/mol
Exact Mass271.04
IUPAC Name[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
SMILESCNC(=O)NC(=O)COC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H10ClN3O4/c1-12-10(17)14-8(15)5-18-9(16)6-2-3-7(11)13-4-6/h2-4H,5H2,1H3,(H2,12,14,15,17)
InChIKeyRORSRAUHZLKWDD-UHFFFAOYSA-N
XLogP0.35
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.66
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 30344335
[2-oxo-2-(propylcarbamoylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2589684
[2-(ethylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2589643
[2-(4-methylanilino)-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2589725
[2-(methylcarbamoylamino)-2-oxoethyl] 4-bromobenzoate
CID 2625657
[2-(methylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627763
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 6-chloropyridine-3-carboxylate
CID 2445173
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2673687
[2-[4-(4-methylphenoxy)anilino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 8017801
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate
CID 2428729
[2-(methylcarbamoylamino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561800
chloromethyl 6-chloropyridine-3-carboxylate
CID 22459863

Frequently Asked Questions

What is the IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The IUPAC name of [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate (CID 2628770) is [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate.
What is the SMILES notation for [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The canonical SMILES for [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is CNC(=O)NC(=O)COC(=O)c1ccc(Cl)nc1.
What is the InChIKey of [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
The InChIKey is RORSRAUHZLKWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O4/c1-12-10(17)14-8(15)5-18-9(16)6-2-3-7(11)13-4-6/h2-4H,5H2,1H3,(H2,12,14,15,17).
What are the key properties of [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate?
[2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate has a molecular weight of 271.66 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylcarbamoylamino)-2-oxoethyl] 6-chloropyridine-3-carboxylate is sourced from PubChem (CID 2628770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).