4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide

C23H16N4O3 — CID 118153292

IUPAC4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C23H16N4O3/c24-23(28)18-3-1-15(2-4-18)19-13-21(16-5-7-20(8-6-16)27(29)30)26-22(14-19)17-9-11-25-12-10-17/h1-14H,(H2,24,28)
InChIKeyDXSFBVNXXUYDAY-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.48
Rot. Bonds5

About 4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide

4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide (PubChem CID 118153292) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide
PubChem CID118153292
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC Name4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C23H16N4O3/c24-23(28)18-3-1-15(2-4-18)19-13-21(16-5-7-20(8-6-16)27(29)30)26-22(14-19)17-9-11-25-12-10-17/h1-14H,(H2,24,28)
InChIKeyDXSFBVNXXUYDAY-UHFFFAOYSA-N
XLogP4.48
TPSA112.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.48
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-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide?
The IUPAC name of 4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide (CID 118153292) is 4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide.
What is the SMILES notation for 4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide?
The canonical SMILES for 4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide is NC(=O)c1ccc(-c2cc(-c3ccncc3)nc(-c3ccc([N+](=O)[O-])cc3)c2)cc1.
What is the InChIKey of 4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide?
The InChIKey is DXSFBVNXXUYDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c24-23(28)18-3-1-15(2-4-18)19-13-21(16-5-7-20(8-6-16)27(29)30)26-22(14-19)17-9-11-25-12-10-17/h1-14H,(H2,24,28).
What are the key properties of 4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide?
4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide has a molecular weight of 396.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-nitrophenyl)-6-pyridin-4-yl-4-pyridinyl]benzamide is sourced from PubChem (CID 118153292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).