N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C26H22N4O2 — CID 84819004

IUPACN-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1ccc2nc3c(cc(C(=O)NC(c4ccccc4)c4ccccc4)n3C)c(=O)n2c1
InChIInChI=1S/C26H22N4O2/c1-17-13-14-22-27-24-20(26(32)30(22)16-17)15-21(29(24)2)25(31)28-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23H,1-2H3,(H,28,31)
InChIKeyZLPGTDGXHXWZLZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.01
Rot. Bonds4

About N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 84819004) has the molecular formula C26H22N4O2 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID84819004
Molecular FormulaC26H22N4O2
Molecular Weight422.49 g/mol
Exact Mass422.17
IUPAC NameN-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1ccc2nc3c(cc(C(=O)NC(c4ccccc4)c4ccccc4)n3C)c(=O)n2c1
InChIInChI=1S/C26H22N4O2/c1-17-13-14-22-27-24-20(26(32)30(22)16-17)15-21(29(24)2)25(31)28-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23H,1-2H3,(H,28,31)
InChIKeyZLPGTDGXHXWZLZ-UHFFFAOYSA-N
XLogP4.01
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-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-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 84819004) is N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cc1ccc2nc3c(cc(C(=O)NC(c4ccccc4)c4ccccc4)n3C)c(=O)n2c1.
What is the InChIKey of N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is ZLPGTDGXHXWZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2/c1-17-13-14-22-27-24-20(26(32)30(22)16-17)15-21(29(24)2)25(31)28-23(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,23H,1-2H3,(H,28,31).
What are the key properties of N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-6,12-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 84819004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).