N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide

C18H15BrN6O — CID 10927744

IUPACN-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide
SMILESCc1cc(C)c2c(n1)nn1c(C)c(C(=O)Nc3ccc(Br)cc3)nnc21
InChIInChI=1S/C18H15BrN6O/c1-9-8-10(2)20-16-14(9)17-23-22-15(11(3)25(17)24-16)18(26)21-13-6-4-12(19)5-7-13/h4-8H,1-3H3,(H,21,26)
InChIKeyMMBZDYLUROUUGS-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.61
Rot. Bonds2

About N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide

N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide (PubChem CID 10927744) has the molecular formula C18H15BrN6O and a molecular weight of 411.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide
PubChem CID10927744
Molecular FormulaC18H15BrN6O
Molecular Weight411.26 g/mol
Exact Mass410.05
IUPAC NameN-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide
SMILESCc1cc(C)c2c(n1)nn1c(C)c(C(=O)Nc3ccc(Br)cc3)nnc21
InChIInChI=1S/C18H15BrN6O/c1-9-8-10(2)20-16-14(9)17-23-22-15(11(3)25(17)24-16)18(26)21-13-6-4-12(19)5-7-13/h4-8H,1-3H3,(H,21,26)
InChIKeyMMBZDYLUROUUGS-UHFFFAOYSA-N
XLogP3.61
TPSA85.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide with MolForge

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Related Compounds

8-(4-bromophenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17198142
8-(4-bromophenyl)-N-(4-ethylphenyl)-7-(methoxymethyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864181
4,7-dimethyl-N,8-diphenylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 6462995
4-methyl-N-(4-methylphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 66499397
N-(4-bromophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 20863859
6-amino-N-[3-cyano-4-(furan-2-yl)-5,6-dimethyl-2-pyridinyl]-11,13-dimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide
CID 139232362
4,7-dimethyl-8-phenyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17079365
1-(4-bromophenyl)-N-(4-ethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 2150357
(2S)-N-(4-bromophenyl)-2-[(5,7-dimethyl-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
CID 135877142
8-(3,4-dimethoxyphenyl)-N-(4-ethylphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 17228340
N-(4-ethoxyphenyl)-7-(methoxymethyl)-8-(4-methoxyphenyl)-4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
CID 43864208
5-amino-N-(4-bromophenyl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 140862073

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide (CID 10927744) is N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide is Cc1cc(C)c2c(n1)nn1c(C)c(C(=O)Nc3ccc(Br)cc3)nnc21.
What is the InChIKey of N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide?
The InChIKey is MMBZDYLUROUUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN6O/c1-9-8-10(2)20-16-14(9)17-23-22-15(11(3)25(17)24-16)18(26)21-13-6-4-12(19)5-7-13/h4-8H,1-3H3,(H,21,26).
What are the key properties of N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide?
N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide has a molecular weight of 411.26 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6,11,13-trimethyl-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-5-carboxamide is sourced from PubChem (CID 10927744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).