6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide

C17H13N5O3S — CID 53380121

IUPAC6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)Nc3ccccn3)cc12
InChIInChI=1S/C17H13N5O3S/c18-17(23)16-15-11(6-8-20-16)12-9-10(4-5-13(12)21-15)26(24,25)22-14-3-1-2-7-19-14/h1-9,21H,(H2,18,23)(H,19,22)
InChIKeyHTDIOMWIPPPMNP-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.01
Rot. Bonds4

About 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide

6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 53380121) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID53380121
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC Name6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)Nc3ccccn3)cc12
InChIInChI=1S/C17H13N5O3S/c18-17(23)16-15-11(6-8-20-16)12-9-10(4-5-13(12)21-15)26(24,25)22-14-3-1-2-7-19-14/h1-9,21H,(H2,18,23)(H,19,22)
InChIKeyHTDIOMWIPPPMNP-UHFFFAOYSA-N
XLogP2.01
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide (CID 53380121) is 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide is NC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)Nc3ccccn3)cc12.
What is the InChIKey of 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is HTDIOMWIPPPMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c18-17(23)16-15-11(6-8-20-16)12-9-10(4-5-13(12)21-15)26(24,25)22-14-3-1-2-7-19-14/h1-9,21H,(H2,18,23)(H,19,22).
What are the key properties of 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-2-ylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 53380121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).