N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

C23H21N3O3 — CID 649186

IUPACN-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)N(Cc1ccccc1)Cc1ccccn1
InChIInChI=1S/C23H21N3O3/c27-22(16-26-20-11-4-5-12-21(20)29-17-23(26)28)25(14-18-8-2-1-3-9-18)15-19-10-6-7-13-24-19/h1-13H,14-17H2
InChIKeyKRCLIMGGYYCNDX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.04
Rot. Bonds6

About N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide

N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 649186) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID649186
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(CN1C(=O)COc2ccccc21)N(Cc1ccccc1)Cc1ccccn1
InChIInChI=1S/C23H21N3O3/c27-22(16-26-20-11-4-5-12-21(20)29-17-23(26)28)25(14-18-8-2-1-3-9-18)15-19-10-6-7-13-24-19/h1-13H,14-17H2
InChIKeyKRCLIMGGYYCNDX-UHFFFAOYSA-N
XLogP3.04
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)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-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide (CID 649186) is N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is O=C(CN1C(=O)COc2ccccc21)N(Cc1ccccc1)Cc1ccccn1.
What is the InChIKey of N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is KRCLIMGGYYCNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(16-26-20-11-4-5-12-21(20)29-17-23(26)28)25(14-18-8-2-1-3-9-18)15-19-10-6-7-13-24-19/h1-13H,14-17H2.
What are the key properties of N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide?
N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 387.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-oxo-1,4-benzoxazin-4-yl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 649186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).