N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide

C19H19N3O2 — CID 24772642

IUPACN-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)NCc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-18-15-8-4-7-14-9-10-22(16(12-20-18)17(14)15)19(24)21-11-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,20,23)(H,21,24)
InChIKeyZRADFFFJPCSXHU-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.24
Rot. Bonds2

About N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide

N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide (PubChem CID 24772642) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
PubChem CID24772642
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide
SMILESO=C1NCC2c3c(cccc31)CCN2C(=O)NCc1ccccc1
InChIInChI=1S/C19H19N3O2/c23-18-15-8-4-7-14-9-10-22(16(12-20-18)17(14)15)19(24)21-11-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,20,23)(H,21,24)
InChIKeyZRADFFFJPCSXHU-UHFFFAOYSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-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 N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
The IUPAC name of N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide (CID 24772642) is N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide.
What is the SMILES notation for N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
The canonical SMILES for N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide is O=C1NCC2c3c(cccc31)CCN2C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
The InChIKey is ZRADFFFJPCSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-18-15-8-4-7-14-9-10-22(16(12-20-18)17(14)15)19(24)21-11-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,20,23)(H,21,24).
What are the key properties of N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide?
N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-10-oxo-2,11-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-2-carboxamide is sourced from PubChem (CID 24772642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).