methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate

C11H10ClN3O6 — CID 21422144

IUPACmethyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cc(Cl)cc(NC(=O)C(=O)OC)n1
InChIInChI=1S/C11H10ClN3O6/c1-20-10(18)8(16)14-6-3-5(12)4-7(13-6)15-9(17)11(19)21-2/h3-4H,1-2H3,(H2,13,14,15,16,17)
InChIKeyRLAKYZMPIXTBAH-UHFFFAOYSA-N
MW315.67 g/mol
LogP-0.04
Rot. Bonds2

About methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate

methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate (PubChem CID 21422144) has the molecular formula C11H10ClN3O6 and a molecular weight of 315.67 g/mol. Its IUPAC name is methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate
PubChem CID21422144
Molecular FormulaC11H10ClN3O6
Molecular Weight315.67 g/mol
Exact Mass315.03
IUPAC Namemethyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cc(Cl)cc(NC(=O)C(=O)OC)n1
InChIInChI=1S/C11H10ClN3O6/c1-20-10(18)8(16)14-6-3-5(12)4-7(13-6)15-9(17)11(19)21-2/h3-4H,1-2H3,(H2,13,14,15,16,17)
InChIKeyRLAKYZMPIXTBAH-UHFFFAOYSA-N
XLogP-0.04
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.67
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate 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 methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate?
The IUPAC name of methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate (CID 21422144) is methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate is COC(=O)C(=O)Nc1cc(Cl)cc(NC(=O)C(=O)OC)n1.
What is the InChIKey of methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate?
The InChIKey is RLAKYZMPIXTBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O6/c1-20-10(18)8(16)14-6-3-5(12)4-7(13-6)15-9(17)11(19)21-2/h3-4H,1-2H3,(H2,13,14,15,16,17).
What are the key properties of methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate?
methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate has a molecular weight of 315.67 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-chloro-6-[(2-methoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]-2-oxoacetate is sourced from PubChem (CID 21422144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).