methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate

C10H11N3O6 — CID 43409764

IUPACmethyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C10H11N3O6/c1-12(5-8(14)19-2)10(16)7-3-6(13(17)18)4-11-9(7)15/h3-4H,5H2,1-2H3,(H,11,15)
InChIKeyYUNNNROGNZTYBA-UHFFFAOYSA-N
MW269.21 g/mol
LogP-0.47
Rot. Bonds4

About methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate

methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate (PubChem CID 43409764) has the molecular formula C10H11N3O6 and a molecular weight of 269.21 g/mol. Its IUPAC name is methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
PubChem CID43409764
Molecular FormulaC10H11N3O6
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Namemethyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O
InChIInChI=1S/C10H11N3O6/c1-12(5-8(14)19-2)10(16)7-3-6(13(17)18)4-11-9(7)15/h3-4H,5H2,1-2H3,(H,11,15)
InChIKeyYUNNNROGNZTYBA-UHFFFAOYSA-N
XLogP-0.47
TPSA122.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-chloro-5-nitropyridine-3-carbonyl)-methylamino]acetate
CID 114046355
N-(5-hydroxypentyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 107202696
N-benzyl-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 25474038
methyl 2-[(2-fluoro-5-nitrobenzoyl)-methylamino]acetate
CID 43377543
methyl 2-[(2-methoxy-5-nitrobenzoyl)-methylamino]acetate
CID 43407682
5-nitro-2-oxo-1H-pyridine-3-carbohydrazide
CID 43244604
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 102635297
methyl 4-[methyl-(4-nitro-1H-pyrrole-2-carbonyl)amino]butanoate
CID 54943132
methyl 2-[(2,5-difluoro-4-nitrobenzoyl)-methylamino]acetate
CID 115880321
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 103841090
N-(2-amino-2-oxoethyl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 60715827
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115362145

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate (CID 43409764) is methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O.
What is the InChIKey of methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The InChIKey is YUNNNROGNZTYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O6/c1-12(5-8(14)19-2)10(16)7-3-6(13(17)18)4-11-9(7)15/h3-4H,5H2,1-2H3,(H,11,15).
What are the key properties of methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate has a molecular weight of 269.21 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(5-nitro-2-oxo-1H-pyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 43409764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).