9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide

C26H25N3O — CID 174417636

IUPAC9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
SMILESCCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C26H25N3O/c1-2-3-4-6-18-13-14-21-24(15-18)29(17-20-11-9-19(16-27)10-12-20)23-8-5-7-22(25(21)23)26(28)30/h5,7-15H,2-4,6,17H2,1H3,(H2,28,30)
InChIKeyGFSUZXUKAUWRQM-UHFFFAOYSA-N
MW395.51 g/mol
LogP5.55
Rot. Bonds7

About 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide

9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide (PubChem CID 174417636) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
PubChem CID174417636
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
SMILESCCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(C#N)cc3)c2c1
InChIInChI=1S/C26H25N3O/c1-2-3-4-6-18-13-14-21-24(15-18)29(17-20-11-9-19(16-27)10-12-20)23-8-5-7-22(25(21)23)26(28)30/h5,7-15H,2-4,6,17H2,1H3,(H2,28,30)
InChIKeyGFSUZXUKAUWRQM-UHFFFAOYSA-N
XLogP5.55
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174400322
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-pentylcarbazole-4-carboxamide
CID 174401347
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416
7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
CID 174401378
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362

Frequently Asked Questions

What is the IUPAC name of 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide?
The IUPAC name of 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide (CID 174417636) is 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide is CCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccc(C#N)cc3)c2c1.
What is the InChIKey of 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide?
The InChIKey is GFSUZXUKAUWRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-2-3-4-6-18-13-14-21-24(15-18)29(17-20-11-9-19(16-27)10-12-20)23-8-5-7-22(25(21)23)26(28)30/h5,7-15H,2-4,6,17H2,1H3,(H2,28,30).
What are the key properties of 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide?
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide is sourced from PubChem (CID 174417636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).