5-methoxy-N-methyl-6-nitropyridine-2-carboxamide

C8H9N3O4 — CID 171531875

IUPAC5-methoxy-N-methyl-6-nitropyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OC)c([N+](=O)[O-])n1
InChIInChI=1S/C8H9N3O4/c1-9-8(12)5-3-4-6(15-2)7(10-5)11(13)14/h3-4H,1-2H3,(H,9,12)
InChIKeyOZTAIJNKEDZKNM-UHFFFAOYSA-N
MW211.18 g/mol
LogP0.36
Rot. Bonds3

About 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide

5-methoxy-N-methyl-6-nitropyridine-2-carboxamide (PubChem CID 171531875) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-methyl-6-nitropyridine-2-carboxamide
PubChem CID171531875
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name5-methoxy-N-methyl-6-nitropyridine-2-carboxamide
SMILESCNC(=O)c1ccc(OC)c([N+](=O)[O-])n1
InChIInChI=1S/C8H9N3O4/c1-9-8(12)5-3-4-6(15-2)7(10-5)11(13)14/h3-4H,1-2H3,(H,9,12)
InChIKeyOZTAIJNKEDZKNM-UHFFFAOYSA-N
XLogP0.36
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
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 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide?
The IUPAC name of 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide (CID 171531875) is 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide?
The canonical SMILES for 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide is CNC(=O)c1ccc(OC)c([N+](=O)[O-])n1.
What is the InChIKey of 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide?
The InChIKey is OZTAIJNKEDZKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-9-8(12)5-3-4-6(15-2)7(10-5)11(13)14/h3-4H,1-2H3,(H,9,12).
What are the key properties of 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide?
5-methoxy-N-methyl-6-nitropyridine-2-carboxamide has a molecular weight of 211.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-6-nitropyridine-2-carboxamide is sourced from PubChem (CID 171531875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).