7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide

C28H26N2O — CID 174400032

IUPAC7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
SMILESCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C28H26N2O/c1-2-3-8-19-15-16-23-26(17-19)30(25-14-7-13-24(27(23)25)28(29)31)18-21-11-6-10-20-9-4-5-12-22(20)21/h4-7,9-17H,2-3,8,18H2,1H3,(H2,29,31)
InChIKeyYYYMQTPZMSWYMC-UHFFFAOYSA-N
MW406.53 g/mol
LogP6.44
Rot. Bonds6

About 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide

7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide (PubChem CID 174400032) has the molecular formula C28H26N2O and a molecular weight of 406.53 g/mol. Its IUPAC name is 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
PubChem CID174400032
Molecular FormulaC28H26N2O
Molecular Weight406.53 g/mol
Exact Mass406.20
IUPAC Name7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
SMILESCCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc4ccccc34)c2c1
InChIInChI=1S/C28H26N2O/c1-2-3-8-19-15-16-23-26(17-19)30(25-14-7-13-24(27(23)25)28(29)31)18-21-11-6-10-20-9-4-5-12-22(20)21/h4-7,9-17H,2-3,8,18H2,1H3,(H2,29,31)
InChIKeyYYYMQTPZMSWYMC-UHFFFAOYSA-N
XLogP6.44
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-butyl-9-[(2-ethoxyphenyl)methyl]carbazole-4-carboxamide
CID 174400416
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
9-[(2,4-dimethylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174414828
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174417821
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417636
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
7-butyl-9-[[3-(difluoromethoxy)phenyl]methyl]carbazole-4-carboxamide
CID 174400322
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-pentylcarbazole-4-carboxamide
CID 174401347

Frequently Asked Questions

What is the IUPAC name of 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide?
The IUPAC name of 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide (CID 174400032) is 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide.
What is the SMILES notation for 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide?
The canonical SMILES for 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide is CCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3cccc4ccccc34)c2c1.
What is the InChIKey of 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide?
The InChIKey is YYYMQTPZMSWYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O/c1-2-3-8-19-15-16-23-26(17-19)30(25-14-7-13-24(27(23)25)28(29)31)18-21-11-6-10-20-9-4-5-12-22(20)21/h4-7,9-17H,2-3,8,18H2,1H3,(H2,29,31).
What are the key properties of 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide?
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174400032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).