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

C24H18N4O4Se2 — CID 19862142

IUPACN-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide
SMILESO=C(Nc1ncccc1O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ncccc1O
InChIInChI=1S/C24H18N4O4Se2/c29-17-9-5-13-25-21(17)27-23(31)15-7-1-3-11-19(15)33-34-20-12-4-2-8-16(20)24(32)28-22-18(30)10-6-14-26-22/h1-14,29-30H,(H,25,27,31)(H,26,28,32)
InChIKeyOBAGRWSWMDIQOT-UHFFFAOYSA-N
MW584.35 g/mol
LogP1.67
Rot. Bonds7

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

N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide (PubChem CID 19862142) has the molecular formula C24H18N4O4Se2 and a molecular weight of 584.35 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide
PubChem CID19862142
Molecular FormulaC24H18N4O4Se2
Molecular Weight584.35 g/mol
Exact Mass585.97
IUPAC NameN-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide
SMILESO=C(Nc1ncccc1O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ncccc1O
InChIInChI=1S/C24H18N4O4Se2/c29-17-9-5-13-25-21(17)27-23(31)15-7-1-3-11-19(15)33-34-20-12-4-2-8-16(20)24(32)28-22-18(30)10-6-14-26-22/h1-14,29-30H,(H,25,27,31)(H,26,28,32)
InChIKeyOBAGRWSWMDIQOT-UHFFFAOYSA-N
XLogP1.67
TPSA124.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.35
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide (CID 19862142) is N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide is O=C(Nc1ncccc1O)c1ccccc1[Se][Se]c1ccccc1C(=O)Nc1ncccc1O.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide?
The InChIKey is OBAGRWSWMDIQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O4Se2/c29-17-9-5-13-25-21(17)27-23(31)15-7-1-3-11-19(15)33-34-20-12-4-2-8-16(20)24(32)28-22-18(30)10-6-14-26-22/h1-14,29-30H,(H,25,27,31)(H,26,28,32).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide?
N-(3-hydroxy-2-pyridinyl)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide has a molecular weight of 584.35 g/mol, XLogP of 1.67, 7 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)-2-[[2-[(3-hydroxy-2-pyridinyl)carbamoyl]phenyl]diselanyl]benzamide is sourced from PubChem (CID 19862142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).