N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide

C19H13N3O3 — CID 25189456

IUPACN-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide
SMILESO=C(NO)c1ccc(C2=Nc3ccccc3Oc3ncccc32)cc1
InChIInChI=1S/C19H13N3O3/c23-18(22-24)13-9-7-12(8-10-13)17-14-4-3-11-20-19(14)25-16-6-2-1-5-15(16)21-17/h1-11,24H,(H,22,23)
InChIKeyHZZYVGQOQIFIBP-UHFFFAOYSA-N
MW331.33 g/mol
LogP3.48
Rot. Bonds2

About N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide

N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide (PubChem CID 25189456) has the molecular formula C19H13N3O3 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide.

Molecular Properties

Compound NameN-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide
PubChem CID25189456
Molecular FormulaC19H13N3O3
Molecular Weight331.33 g/mol
Exact Mass331.10
IUPAC NameN-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide
SMILESO=C(NO)c1ccc(C2=Nc3ccccc3Oc3ncccc32)cc1
InChIInChI=1S/C19H13N3O3/c23-18(22-24)13-9-7-12(8-10-13)17-14-4-3-11-20-19(14)25-16-6-2-1-5-15(16)21-17/h1-11,24H,(H,22,23)
InChIKeyHZZYVGQOQIFIBP-UHFFFAOYSA-N
XLogP3.48
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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 N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide?
The IUPAC name of N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide (CID 25189456) is N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide.
What is the SMILES notation for N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide?
The canonical SMILES for N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide is O=C(NO)c1ccc(C2=Nc3ccccc3Oc3ncccc32)cc1.
What is the InChIKey of N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide?
The InChIKey is HZZYVGQOQIFIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3/c23-18(22-24)13-9-7-12(8-10-13)17-14-4-3-11-20-19(14)25-16-6-2-1-5-15(16)21-17/h1-11,24H,(H,22,23).
What are the key properties of N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide?
N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide has a molecular weight of 331.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-pyrido[2,3-b][1,5]benzoxazepin-5-ylbenzamide is sourced from PubChem (CID 25189456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).