4-methoxy-3-nitro-N-pyridin-4-ylbenzamide

C13H11N3O4 — CID 873067

IUPAC4-methoxy-3-nitro-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-20-12-3-2-9(8-11(12)16(18)19)13(17)15-10-4-6-14-7-5-10/h2-8H,1H3,(H,14,15,17)
InChIKeyYYPZROTVEZQVQG-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.25
Rot. Bonds4

About 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide

4-methoxy-3-nitro-N-pyridin-4-ylbenzamide (PubChem CID 873067) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-nitro-N-pyridin-4-ylbenzamide
PubChem CID873067
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-methoxy-3-nitro-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O4/c1-20-12-3-2-9(8-11(12)16(18)19)13(17)15-10-4-6-14-7-5-10/h2-8H,1H3,(H,14,15,17)
InChIKeyYYPZROTVEZQVQG-UHFFFAOYSA-N
XLogP2.25
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.25
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 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide (CID 873067) is 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide is COc1ccc(C(=O)Nc2ccncc2)cc1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is YYPZROTVEZQVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-12-3-2-9(8-11(12)16(18)19)13(17)15-10-4-6-14-7-5-10/h2-8H,1H3,(H,14,15,17).
What are the key properties of 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide?
4-methoxy-3-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 273.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 873067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).