9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide

C24H21N3O — CID 175235910

IUPAC9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C#N)c2c1
InChIInChI=1S/C24H21N3O/c1-2-6-16-11-12-19-22(13-16)27(15-18-8-4-3-7-17(18)14-25)21-10-5-9-20(23(19)21)24(26)28/h3-5,7-13H,2,6,15H2,1H3,(H2,26,28)
InChIKeyIZXMHCYUUXJFBY-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.77
Rot. Bonds5

About 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide

9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide (PubChem CID 175235910) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
PubChem CID175235910
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C#N)c2c1
InChIInChI=1S/C24H21N3O/c1-2-6-16-11-12-19-22(13-16)27(15-18-8-4-3-7-17(18)14-25)21-10-5-9-20(23(19)21)24(26)28/h3-5,7-13H,2,6,15H2,1H3,(H2,26,28)
InChIKeyIZXMHCYUUXJFBY-UHFFFAOYSA-N
XLogP4.77
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174417821
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417636
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416
7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
CID 174401378
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828

Frequently Asked Questions

What is the IUPAC name of 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide (CID 175235910) is 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide is CCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3C#N)c2c1.
What is the InChIKey of 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide?
The InChIKey is IZXMHCYUUXJFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c1-2-6-16-11-12-19-22(13-16)27(15-18-8-4-3-7-17(18)14-25)21-10-5-9-20(23(19)21)24(26)28/h3-5,7-13H,2,6,15H2,1H3,(H2,26,28).
What are the key properties of 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide?
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide is sourced from PubChem (CID 175235910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).