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

C21H20N4O2 — CID 3379883

IUPAC6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(C)c1
InChIInChI=1S/C21H20N4O2/c1-12-9-13(2)18(14(3)10-12)23-20(26)16-11-15-19(24(16)4)22-17-7-5-6-8-25(17)21(15)27/h5-11H,1-4H3,(H,23,26)
InChIKeyZMVJJKRWVLSBSH-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.36
Rot. Bonds2

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

6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3379883) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3379883
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(C)c1
InChIInChI=1S/C21H20N4O2/c1-12-9-13(2)18(14(3)10-12)23-20(26)16-11-15-19(24(16)4)22-17-7-5-6-8-25(17)21(15)27/h5-11H,1-4H3,(H,23,26)
InChIKeyZMVJJKRWVLSBSH-UHFFFAOYSA-N
XLogP3.36
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3379883) is 6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-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 6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cc1cc(C)c(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c(C)c1.
What is the InChIKey of 6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is ZMVJJKRWVLSBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-12-9-13(2)18(14(3)10-12)23-20(26)16-11-15-19(24(16)4)22-17-7-5-6-8-25(17)21(15)27/h5-11H,1-4H3,(H,23,26).
What are the key properties of 6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-N-(2,4,6-trimethylphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 3379883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).