N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide

C9H11N3O4 — CID 87562880

IUPACN,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCN(C)C(=O)Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C9H11N3O4/c1-10(2)8(13)6-11-5-3-4-7(9(11)14)12(15)16/h3-5H,6H2,1-2H3
InChIKeyWJZLTWKPGCBVAT-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.16
Rot. Bonds3

About N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide

N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide (PubChem CID 87562880) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide
PubChem CID87562880
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC NameN,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide
SMILESCN(C)C(=O)Cn1cccc([N+](=O)[O-])c1=O
InChIInChI=1S/C9H11N3O4/c1-10(2)8(13)6-11-5-3-4-7(9(11)14)12(15)16/h3-5H,6H2,1-2H3
InChIKeyWJZLTWKPGCBVAT-UHFFFAOYSA-N
XLogP-0.16
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide (CID 87562880) is N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide is CN(C)C(=O)Cn1cccc([N+](=O)[O-])c1=O.
What is the InChIKey of N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide?
The InChIKey is WJZLTWKPGCBVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-10(2)8(13)6-11-5-3-4-7(9(11)14)12(15)16/h3-5H,6H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide?
N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide has a molecular weight of 225.20 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-nitro-2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 87562880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).