N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide

C26H20N4O4 — CID 54546796

IUPACN-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(C=Cc2ccc(C(=O)Nc3ncccc3O)cc2)cc1
InChIInChI=1S/C26H20N4O4/c31-21-3-1-15-27-23(21)29-25(33)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)26(34)30-24-22(32)4-2-16-28-24/h1-16,31-32H,(H,27,29,33)(H,28,30,34)
InChIKeyZHBWFYTZVAVDOA-UHFFFAOYSA-N
MW452.47 g/mol
LogP4.56
Rot. Bonds6

About N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide

N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide (PubChem CID 54546796) has the molecular formula C26H20N4O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide
PubChem CID54546796
Molecular FormulaC26H20N4O4
Molecular Weight452.47 g/mol
Exact Mass452.15
IUPAC NameN-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide
SMILESO=C(Nc1ncccc1O)c1ccc(C=Cc2ccc(C(=O)Nc3ncccc3O)cc2)cc1
InChIInChI=1S/C26H20N4O4/c31-21-3-1-15-27-23(21)29-25(33)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)26(34)30-24-22(32)4-2-16-28-24/h1-16,31-32H,(H,27,29,33)(H,28,30,34)
InChIKeyZHBWFYTZVAVDOA-UHFFFAOYSA-N
XLogP4.56
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 54.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide (CID 54546796) is N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide is O=C(Nc1ncccc1O)c1ccc(C=Cc2ccc(C(=O)Nc3ncccc3O)cc2)cc1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide?
The InChIKey is ZHBWFYTZVAVDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4/c31-21-3-1-15-27-23(21)29-25(33)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)26(34)30-24-22(32)4-2-16-28-24/h1-16,31-32H,(H,27,29,33)(H,28,30,34).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide?
N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide has a molecular weight of 452.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-4-[2-[4-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]ethenyl]benzamide is sourced from PubChem (CID 54546796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).