4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide

C28H24N6O — CID 18834832

IUPAC4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C34CCC(c5nc(C#N)c(C#N)nc53)C4(C)C)ccc21
InChIInChI=1S/C28H24N6O/c1-4-34-22-8-6-5-7-17(22)18-13-16(9-10-23(18)34)31-26(35)28-12-11-19(27(28,2)3)24-25(28)33-21(15-30)20(14-29)32-24/h5-10,13,19H,4,11-12H2,1-3H3,(H,31,35)
InChIKeyAMZUSIYLUTVNQQ-UHFFFAOYSA-N
MW460.54 g/mol
LogP5.14
Rot. Bonds3

About 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide

4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide (PubChem CID 18834832) has the molecular formula C28H24N6O and a molecular weight of 460.54 g/mol. Its IUPAC name is 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide.

Molecular Properties

Compound Name4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide
PubChem CID18834832
Molecular FormulaC28H24N6O
Molecular Weight460.54 g/mol
Exact Mass460.20
IUPAC Name4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C34CCC(c5nc(C#N)c(C#N)nc53)C4(C)C)ccc21
InChIInChI=1S/C28H24N6O/c1-4-34-22-8-6-5-7-17(22)18-13-16(9-10-23(18)34)31-26(35)28-12-11-19(27(28,2)3)24-25(28)33-21(15-30)20(14-29)32-24/h5-10,13,19H,4,11-12H2,1-3H3,(H,31,35)
InChIKeyAMZUSIYLUTVNQQ-UHFFFAOYSA-N
XLogP5.14
TPSA107.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.54
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide with MolForge

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Related Compounds

4,5-dicyano-N-(4-ethylphenyl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide
CID 18834840
N-(9-ethylcarbazol-3-yl)-3,5,7-trimethyladamantane-1-carboxamide
CID 4301824
(1S,8R)-4,5-dicyano-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxylic acid
CID 23309784
4-[(9-ethylcarbazol-3-yl)carbamoyl]oxane-4-carboxylic acid
CID 167766906
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)butanediamide
CID 90300485
trans-(1S,2S)-1-N,2-N-bis(9-ethylcarbazol-3-yl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 2321929
1-acetamido-N-(9-ethylcarbazol-3-yl)cyclohexane-1-carboxamide
CID 55819946
[2-[(9-ethylcarbazol-3-yl)amino]-2-oxoethyl] thiocyanate
CID 74655425
N-(9-ethylcarbazol-3-yl)-2-fluorobenzamide
CID 3128405
6,7-dichloro-15,15-dimethyl-N-(4-phenoxyphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834649
N-(4-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3,3-dimethylpentanediamide
CID 90300464
N-(3-cyanophenyl)-N'-(9-ethylcarbazol-3-yl)-3-methylpentanediamide
CID 86729719

Frequently Asked Questions

What is the IUPAC name of 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide?
The IUPAC name of 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide (CID 18834832) is 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide.
What is the SMILES notation for 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide?
The canonical SMILES for 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide is CCn1c2ccccc2c2cc(NC(=O)C34CCC(c5nc(C#N)c(C#N)nc53)C4(C)C)ccc21.
What is the InChIKey of 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide?
The InChIKey is AMZUSIYLUTVNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O/c1-4-34-22-8-6-5-7-17(22)18-13-16(9-10-23(18)34)31-26(35)28-12-11-19(27(28,2)3)24-25(28)33-21(15-30)20(14-29)32-24/h5-10,13,19H,4,11-12H2,1-3H3,(H,31,35).
What are the key properties of 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide?
4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyano-N-(9-ethylcarbazol-3-yl)-11,11-dimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-1-carboxamide is sourced from PubChem (CID 18834832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).