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

C20H18N4O2 — CID 3681915

IUPACN-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c1C
InChIInChI=1S/C20H18N4O2/c1-12-7-6-8-15(13(12)2)21-19(25)16-11-14-18(23(16)3)22-17-9-4-5-10-24(17)20(14)26/h4-11H,1-3H3,(H,21,25)
InChIKeyWRDGDRIRALMIJS-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.06
Rot. Bonds2

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

N-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 3681915) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-6-methyl-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-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID3681915
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c1C
InChIInChI=1S/C20H18N4O2/c1-12-7-6-8-15(13(12)2)21-19(25)16-11-14-18(23(16)3)22-17-9-4-5-10-24(17)20(14)26/h4-11H,1-3H3,(H,21,25)
InChIKeyWRDGDRIRALMIJS-UHFFFAOYSA-N
XLogP3.06
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-6-methyl-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-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 3681915) is N-(2,3-dimethylphenyl)-6-methyl-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-(2,3-dimethylphenyl)-6-methyl-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-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cc1cccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is WRDGDRIRALMIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-12-7-6-8-15(13(12)2)21-19(25)16-11-14-18(23(16)3)22-17-9-4-5-10-24(17)20(14)26/h4-11H,1-3H3,(H,21,25).
What are the key properties of N-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
N-(2,3-dimethylphenyl)-6-methyl-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 346.39 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-6-methyl-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 3681915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).