N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

C9H10N4O5 — CID 7467806

IUPACN-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCNC(=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C9H10N4O5/c1-10-9(16)11-7(14)5-12-4-6(13(17)18)2-3-8(12)15/h2-4H,5H2,1H3,(H2,10,11,14,16)
InChIKeyXBJUQKGGNDFHHO-UHFFFAOYSA-N
MW254.20 g/mol
LogP-0.79
Rot. Bonds3

About N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide

N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 7467806) has the molecular formula C9H10N4O5 and a molecular weight of 254.20 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID7467806
Molecular FormulaC9H10N4O5
Molecular Weight254.20 g/mol
Exact Mass254.07
IUPAC NameN-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCNC(=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O
InChIInChI=1S/C9H10N4O5/c1-10-9(16)11-7(14)5-12-4-6(13(17)18)2-3-8(12)15/h2-4H,5H2,1H3,(H2,10,11,14,16)
InChIKeyXBJUQKGGNDFHHO-UHFFFAOYSA-N
XLogP-0.79
TPSA123.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide (CID 7467806) is N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is CNC(=O)NC(=O)Cn1cc([N+](=O)[O-])ccc1=O.
What is the InChIKey of N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is XBJUQKGGNDFHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O5/c1-10-9(16)11-7(14)5-12-4-6(13(17)18)2-3-8(12)15/h2-4H,5H2,1H3,(H2,10,11,14,16).
What are the key properties of N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide?
N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 254.20 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 7467806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).