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

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Related Compounds

methyl 2-oxo-2-(2,4,6-trichloroanilino)acetate
CID 112683063
methyl 2-(5-chloro-2-fluoroanilino)-2-oxoacetate
CID 112616665
methyl 2-(2,5-dichloroanilino)-2-oxoacetate
CID 11543309
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-2-oxoacetate
CID 116700746
methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate
CID 14097512
methyl 2-(1,2-oxazol-3-ylamino)-2-oxoacetate
CID 112617179
N-(4,6-dichloro-2-pyridinyl)-2,2,3,3,4,4-hexafluoropentanamide
CID 170315457
methyl 2-[4-chloro-2-methyl-6-(methylcarbamoyl)anilino]-2-oxoacetate
CID 126500415
ethyl N-[(4,6-dichloro-2-pyridinyl)carbamoylsulfanyl]carbamate
CID 141236284
methyl 2-(4-chloro-3-fluoroanilino)-2-oxoacetate
CID 22934794
methyl 2-(4-bromo-2-chloroanilino)-2-oxoacetate
CID 112683071
propan-2-yl N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 131748063

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).