N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide

C23H21N3O3 — CID 169176791

IUPACN-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)COCc3ccccc32)cc1-c1ccccn1
InChIInChI=1S/C23H21N3O3/c1-16-9-10-18(12-19(16)20-7-4-5-11-24-20)25-22(27)13-26-21-8-3-2-6-17(21)14-29-15-23(26)28/h2-12H,13-15H2,1H3,(H,25,27)
InChIKeyCXLUDBFVKHAUID-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.56
Rot. Bonds4

About N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide

N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide (PubChem CID 169176791) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide
PubChem CID169176791
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)COCc3ccccc32)cc1-c1ccccn1
InChIInChI=1S/C23H21N3O3/c1-16-9-10-18(12-19(16)20-7-4-5-11-24-20)25-22(27)13-26-21-8-3-2-6-17(21)14-29-15-23(26)28/h2-12H,13-15H2,1H3,(H,25,27)
InChIKeyCXLUDBFVKHAUID-UHFFFAOYSA-N
XLogP3.56
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide 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 N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide?
The IUPAC name of N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide (CID 169176791) is N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide.
What is the SMILES notation for N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide?
The canonical SMILES for N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide is Cc1ccc(NC(=O)CN2C(=O)COCc3ccccc32)cc1-c1ccccn1.
What is the InChIKey of N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide?
The InChIKey is CXLUDBFVKHAUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-16-9-10-18(12-19(16)20-7-4-5-11-24-20)25-22(27)13-26-21-8-3-2-6-17(21)14-29-15-23(26)28/h2-12H,13-15H2,1H3,(H,25,27).
What are the key properties of N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide?
N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-pyridin-2-ylphenyl)-2-(2-oxo-5H-4,1-benzoxazepin-1-yl)acetamide is sourced from PubChem (CID 169176791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).