9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide

C23H17N3OS — CID 174414157

IUPAC9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1ccncc1
InChIInChI=1S/C23H17N3OS/c24-23(27)18-3-1-4-19-22(18)17-7-6-16(21-5-2-12-28-21)13-20(17)26(19)14-15-8-10-25-11-9-15/h1-13H,14H2,(H2,24,27)
InChIKeyOMOSMHVDYHHOLY-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.07
Rot. Bonds4

About 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide

9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide (PubChem CID 174414157) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
PubChem CID174414157
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC Name9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1ccncc1
InChIInChI=1S/C23H17N3OS/c24-23(27)18-3-1-4-19-22(18)17-7-6-16(21-5-2-12-28-21)13-20(17)26(19)14-15-8-10-25-11-9-15/h1-13H,14H2,(H2,24,27)
InChIKeyOMOSMHVDYHHOLY-UHFFFAOYSA-N
XLogP5.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-thiophen-2-yl-9-(thiophen-2-ylmethyl)carbazole-4-carboxamide
CID 174414759
9-[(2,6-difluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399417
7-thiophen-2-yl-9-[(2,4,6-trimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423912
9-[(2-chloro-6-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174423994
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362
9-[(2-acetamidophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399764
9-[(2-bromo-5-fluorophenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174400379
9-(cyclobutylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174399494
9-[(2-ethoxyphenyl)methyl]-7-thiophen-2-ylcarbazole-4-carboxamide
CID 174418430
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722

Frequently Asked Questions

What is the IUPAC name of 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide (CID 174414157) is 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(-c3cccs3)cc1n2Cc1ccncc1.
What is the InChIKey of 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide?
The InChIKey is OMOSMHVDYHHOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c24-23(27)18-3-1-4-19-22(18)17-7-6-16(21-5-2-12-28-21)13-20(17)26(19)14-15-8-10-25-11-9-15/h1-13H,14H2,(H2,24,27).
What are the key properties of 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide?
9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide has a molecular weight of 383.48 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(pyridin-4-ylmethyl)-7-thiophen-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174414157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).