4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide

C14H13N3O5 — CID 775346

IUPAC4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide
SMILESCOc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H13N3O5/c1-21-12-7-10(11(17(19)20)8-13(12)22-2)14(18)16-9-3-5-15-6-4-9/h3-8H,1-2H3,(H,15,16,18)
InChIKeyWGRHNNLJXVMOLO-UHFFFAOYSA-N
MW303.27 g/mol
LogP2.26
Rot. Bonds5

About 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide

4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide (PubChem CID 775346) has the molecular formula C14H13N3O5 and a molecular weight of 303.27 g/mol. Its IUPAC name is 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide
PubChem CID775346
Molecular FormulaC14H13N3O5
Molecular Weight303.27 g/mol
Exact Mass303.09
IUPAC Name4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide
SMILESCOc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C14H13N3O5/c1-21-12-7-10(11(17(19)20)8-13(12)22-2)14(18)16-9-3-5-15-6-4-9/h3-8H,1-2H3,(H,15,16,18)
InChIKeyWGRHNNLJXVMOLO-UHFFFAOYSA-N
XLogP2.26
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide?
The IUPAC name of 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide (CID 775346) is 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide is COc1cc(C(=O)Nc2ccncc2)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide?
The InChIKey is WGRHNNLJXVMOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O5/c1-21-12-7-10(11(17(19)20)8-13(12)22-2)14(18)16-9-3-5-15-6-4-9/h3-8H,1-2H3,(H,15,16,18).
What are the key properties of 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide?
4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide has a molecular weight of 303.27 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-nitro-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 775346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).