2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide

C23H19N3O4 — CID 1000923

IUPAC2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)nc2)c1
InChIInChI=1S/C23H19N3O4/c1-14(27)16-5-3-7-19(11-16)25-22(29)18-9-10-21(24-13-18)23(30)26-20-8-4-6-17(12-20)15(2)28/h3-13H,1-2H3,(H,25,29)(H,26,30)
InChIKeyZVYQVSVIIXRMRS-UHFFFAOYSA-N
MW401.42 g/mol
LogP3.99
Rot. Bonds6

About 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide

2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide (PubChem CID 1000923) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide
PubChem CID1000923
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)nc2)c1
InChIInChI=1S/C23H19N3O4/c1-14(27)16-5-3-7-19(11-16)25-22(29)18-9-10-21(24-13-18)23(30)26-20-8-4-6-17(12-20)15(2)28/h3-13H,1-2H3,(H,25,29)(H,26,30)
InChIKeyZVYQVSVIIXRMRS-UHFFFAOYSA-N
XLogP3.99
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide (CID 1000923) is 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide is CC(=O)c1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C(C)=O)c3)nc2)c1.
What is the InChIKey of 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide?
The InChIKey is ZVYQVSVIIXRMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c1-14(27)16-5-3-7-19(11-16)25-22(29)18-9-10-21(24-13-18)23(30)26-20-8-4-6-17(12-20)15(2)28/h3-13H,1-2H3,(H,25,29)(H,26,30).
What are the key properties of 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide?
2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide has a molecular weight of 401.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis(3-acetylphenyl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 1000923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).