7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide

C21H19N3O — CID 174414362

IUPAC7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccncc3)c2c1
InChIInChI=1S/C21H19N3O/c1-2-14-6-7-16-19(12-14)24(13-15-8-10-23-11-9-15)18-5-3-4-17(20(16)18)21(22)25/h3-12H,2,13H2,1H3,(H2,22,25)
InChIKeyOZYCXUJUYIGLIZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.90
Rot. Bonds4

About 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide

7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide (PubChem CID 174414362) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
PubChem CID174414362
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccncc3)c2c1
InChIInChI=1S/C21H19N3O/c1-2-14-6-7-16-19(12-14)24(13-15-8-10-23-11-9-15)18-5-3-4-17(20(16)18)21(22)25/h3-12H,2,13H2,1H3,(H2,22,25)
InChIKeyOZYCXUJUYIGLIZ-UHFFFAOYSA-N
XLogP3.90
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
7-ethyl-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174414739
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174414157
7-ethyl-9-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414795
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
9-(cyclopropylmethyl)-7-ethylcarbazole-4-carboxamide
CID 174418330
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide?
The IUPAC name of 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide (CID 174414362) is 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide.
What is the SMILES notation for 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide?
The canonical SMILES for 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide is CCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccncc3)c2c1.
What is the InChIKey of 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide?
The InChIKey is OZYCXUJUYIGLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-2-14-6-7-16-19(12-14)24(13-15-8-10-23-11-9-15)18-5-3-4-17(20(16)18)21(22)25/h3-12H,2,13H2,1H3,(H2,22,25).
What are the key properties of 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide?
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).