N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide

C26H26N4O2 — CID 23113799

IUPACN-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide
SMILESCOc1ccc(C2c3[nH]c4ncccc4c3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C26H26N4O2/c1-16-13-17(2)15-19(14-16)28-26(31)30-12-10-21-22-5-4-11-27-25(22)29-23(21)24(30)18-6-8-20(32-3)9-7-18/h4-9,11,13-15,24H,10,12H2,1-3H3,(H,27,29)(H,28,31)
InChIKeyWZNUFSHTCUSJPW-UHFFFAOYSA-N
MW426.52 g/mol
LogP5.37
Rot. Bonds3

About N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide

N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide (PubChem CID 23113799) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide
PubChem CID23113799
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide
SMILESCOc1ccc(C2c3[nH]c4ncccc4c3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C26H26N4O2/c1-16-13-17(2)15-19(14-16)28-26(31)30-12-10-21-22-5-4-11-27-25(22)29-23(21)24(30)18-6-8-20(32-3)9-7-18/h4-9,11,13-15,24H,10,12H2,1-3H3,(H,27,29)(H,28,31)
InChIKeyWZNUFSHTCUSJPW-UHFFFAOYSA-N
XLogP5.37
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.52
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-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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Related Compounds

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
N-(3,5-dimethylphenyl)-6-(3-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide
CID 67256043
(1R)-N-(4-methoxyphenyl)-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92745382
6-methoxy-1-(4-methoxyphenyl)-N-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920946
6-methoxy-N-(3-methoxyphenyl)-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 50759130
(1R)-N-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92745466
methyl 3-[[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]benzoate
CID 50759104
1-(4-fluorophenyl)-6-methoxy-N-phenyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 50759128
(1S)-N-(3,4-dimethoxyphenyl)-6-methoxy-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 92745564
N-(3,5-dimethylphenyl)-10-(3-fluorophenyl)-3,8,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-11-carboxamide
CID 11690162
N-(2-bromophenyl)-6-methoxy-1-(4-methylphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxamide
CID 20920996
ethyl 2-[4-[[(1S)-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl]amino]phenyl]acetate
CID 92745471

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide (CID 23113799) is N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-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 N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide is COc1ccc(C2c3[nH]c4ncccc4c3CCN2C(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide?
The InChIKey is WZNUFSHTCUSJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-16-13-17(2)15-19(14-16)28-26(31)30-12-10-21-22-5-4-11-27-25(22)29-23(21)24(30)18-6-8-20(32-3)9-7-18/h4-9,11,13-15,24H,10,12H2,1-3H3,(H,27,29)(H,28,31).
What are the key properties of N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide?
N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-(4-methoxyphenyl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-5-carboxamide is sourced from PubChem (CID 23113799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).