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

C13H11N3O4 — CID 2862559

IUPAC4-methoxy-N-(5-nitro-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C13H11N3O4/c1-20-11-5-2-9(3-6-11)13(17)15-12-7-4-10(8-14-12)16(18)19/h2-8H,1H3,(H,14,15,17)
InChIKeyCVZQKOGRWDCNPZ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.25
Rot. Bonds4

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

4-methoxy-N-(5-nitro-2-pyridinyl)benzamide (PubChem CID 2862559) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-methoxy-N-(5-nitro-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(5-nitro-2-pyridinyl)benzamide
PubChem CID2862559
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name4-methoxy-N-(5-nitro-2-pyridinyl)benzamide
SMILESCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C13H11N3O4/c1-20-11-5-2-9(3-6-11)13(17)15-12-7-4-10(8-14-12)16(18)19/h2-8H,1H3,(H,14,15,17)
InChIKeyCVZQKOGRWDCNPZ-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-N-(5-nitro-2-pyridinyl)benzamide?
The IUPAC name of 4-methoxy-N-(5-nitro-2-pyridinyl)benzamide (CID 2862559) is 4-methoxy-N-(5-nitro-2-pyridinyl)benzamide.
What is the SMILES notation for 4-methoxy-N-(5-nitro-2-pyridinyl)benzamide?
The canonical SMILES for 4-methoxy-N-(5-nitro-2-pyridinyl)benzamide is COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 4-methoxy-N-(5-nitro-2-pyridinyl)benzamide?
The InChIKey is CVZQKOGRWDCNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-20-11-5-2-9(3-6-11)13(17)15-12-7-4-10(8-14-12)16(18)19/h2-8H,1H3,(H,14,15,17).
What are the key properties of 4-methoxy-N-(5-nitro-2-pyridinyl)benzamide?
4-methoxy-N-(5-nitro-2-pyridinyl)benzamide 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-N-(5-nitro-2-pyridinyl)benzamide is sourced from PubChem (CID 2862559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).