6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide

C27H28N4O3 — CID 23113605

IUPAC6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide
SMILESCOc1cc(OC)cc(C2c3[nH]c4ncccc4c3CCN2C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C27H28N4O3/c1-16-10-17(2)12-19(11-16)29-27(32)31-9-7-22-23-6-5-8-28-26(23)30-24(22)25(31)18-13-20(33-3)15-21(14-18)34-4/h5-6,8,10-15,25H,7,9H2,1-4H3,(H,28,30)(H,29,32)
InChIKeyMDMJPTOIMZOGED-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.38
Rot. Bonds4

About 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide

6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide (PubChem CID 23113605) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide
PubChem CID23113605
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide
SMILESCOc1cc(OC)cc(C2c3[nH]c4ncccc4c3CCN2C(=O)Nc2cc(C)cc(C)c2)c1
InChIInChI=1S/C27H28N4O3/c1-16-10-17(2)12-19(11-16)29-27(32)31-9-7-22-23-6-5-8-28-26(23)30-24(22)25(31)18-13-20(33-3)15-21(14-18)34-4/h5-6,8,10-15,25H,7,9H2,1-4H3,(H,28,30)(H,29,32)
InChIKeyMDMJPTOIMZOGED-UHFFFAOYSA-N
XLogP5.38
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide (CID 23113605) is 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide is COc1cc(OC)cc(C2c3[nH]c4ncccc4c3CCN2C(=O)Nc2cc(C)cc(C)c2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide?
The InChIKey is MDMJPTOIMZOGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-16-10-17(2)12-19(11-16)29-27(32)31-9-7-22-23-6-5-8-28-26(23)30-24(22)25(31)18-13-20(33-3)15-21(14-18)34-4/h5-6,8,10-15,25H,7,9H2,1-4H3,(H,28,30)(H,29,32).
What are the key properties of 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide?
6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide is sourced from PubChem (CID 23113605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).