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

C25H20N4O3 — CID 5153426

IUPAC6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)n(C)c3nc12
InChIInChI=1S/C25H20N4O3/c1-16-7-6-14-29-22(16)27-23-20(25(29)31)15-21(28(23)2)24(30)26-17-10-12-19(13-11-17)32-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,26,30)
InChIKeyNMHUVPRUMDTARQ-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.54
Rot. Bonds4

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

6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 5153426) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID5153426
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC Name6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)n(C)c3nc12
InChIInChI=1S/C25H20N4O3/c1-16-7-6-14-29-22(16)27-23-20(25(29)31)15-21(28(23)2)24(30)26-17-10-12-19(13-11-17)32-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,26,30)
InChIKeyNMHUVPRUMDTARQ-UHFFFAOYSA-N
XLogP4.54
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-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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Related Compounds

N-(4-chlorophenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 4624085
N-(2,6-dimethylphenyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 984708
6,10-dimethyl-2-oxo-N-propyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5001187
N-(3-methoxypropyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5001193
6,10-dimethyl-2-oxo-N-(4-phenylbutan-2-yl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3604023
N-[(2R)-butan-2-yl]-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852286
6,10-dimethyl-2-oxo-N-(3-propan-2-yloxypropyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5001194
6,10-dimethyl-N-[(4-methylphenyl)methyl]-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3600771
6,10-dimethyl-N-(3-methylbutyl)-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852283
1,4,6-trimethyl-2-oxo-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862650
N-(4-fluorophenyl)-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 3670742
N-(furan-2-ylmethyl)-6,10-dimethyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 852295

Frequently Asked Questions

What is the IUPAC name of 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 5153426) is 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-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 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)n(C)c3nc12.
What is the InChIKey of 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is NMHUVPRUMDTARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-16-7-6-14-29-22(16)27-23-20(25(29)31)15-21(28(23)2)24(30)26-17-10-12-19(13-11-17)32-18-8-4-3-5-9-18/h3-15H,1-2H3,(H,26,30).
What are the key properties of 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dimethyl-2-oxo-N-(4-phenoxyphenyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 5153426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).