4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide

C16H21N3O4 — CID 122440253

IUPAC4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide
SMILESO=C(NO)c1cnc2c(c1)OCCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C16H21N3O4/c20-15(18-22)12-8-14-13(17-9-12)10-19(6-7-23-14)16(21)11-4-2-1-3-5-11/h8-9,11,22H,1-7,10H2,(H,18,20)
InChIKeyHEEGZOHHWYSEIB-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.50
Rot. Bonds2

About 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide

4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide (PubChem CID 122440253) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide
PubChem CID122440253
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide
SMILESO=C(NO)c1cnc2c(c1)OCCN(C(=O)C1CCCCC1)C2
InChIInChI=1S/C16H21N3O4/c20-15(18-22)12-8-14-13(17-9-12)10-19(6-7-23-14)16(21)11-4-2-1-3-5-11/h8-9,11,22H,1-7,10H2,(H,18,20)
InChIKeyHEEGZOHHWYSEIB-UHFFFAOYSA-N
XLogP1.50
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.50
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'}

Analyze 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide?
The IUPAC name of 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide (CID 122440253) is 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide.
What is the SMILES notation for 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide?
The canonical SMILES for 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide is O=C(NO)c1cnc2c(c1)OCCN(C(=O)C1CCCCC1)C2.
What is the InChIKey of 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide?
The InChIKey is HEEGZOHHWYSEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-15(18-22)12-8-14-13(17-9-12)10-19(6-7-23-14)16(21)11-4-2-1-3-5-11/h8-9,11,22H,1-7,10H2,(H,18,20).
What are the key properties of 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide?
4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)-N-hydroxy-3,5-dihydro-2H-pyrido[2,3-f][1,4]oxazepine-8-carboxamide is sourced from PubChem (CID 122440253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).