4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide

C14H13N3O4 — CID 2851834

IUPAC4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H13N3O4/c1-2-21-12-6-3-10(4-7-12)14(18)16-13-8-5-11(9-15-13)17(19)20/h3-9H,2H2,1H3,(H,15,16,18)
InChIKeyKOQMCUBNTBYERO-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.64
Rot. Bonds5

About 4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide

4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide (PubChem CID 2851834) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide
PubChem CID2851834
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C14H13N3O4/c1-2-21-12-6-3-10(4-7-12)14(18)16-13-8-5-11(9-15-13)17(19)20/h3-9H,2H2,1H3,(H,15,16,18)
InChIKeyKOQMCUBNTBYERO-UHFFFAOYSA-N
XLogP2.64
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.64
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-ethoxy-N-(5-nitro-2-pyridinyl)benzamide?
The IUPAC name of 4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide (CID 2851834) is 4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide is CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide?
The InChIKey is KOQMCUBNTBYERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-2-21-12-6-3-10(4-7-12)14(18)16-13-8-5-11(9-15-13)17(19)20/h3-9H,2H2,1H3,(H,15,16,18).
What are the key properties of 4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide?
4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide has a molecular weight of 287.28 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(5-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 2851834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).