6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide

C19H23N5O4S — CID 53380419

IUPAC6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCCCN3CCOCC3)cc12
InChIInChI=1S/C19H23N5O4S/c20-19(25)18-17-14(4-6-21-18)15-12-13(2-3-16(15)23-17)29(26,27)22-5-1-7-24-8-10-28-11-9-24/h2-4,6,12,22-23H,1,5,7-11H2,(H2,20,25)
InChIKeyRRXPIZFYRWXOPZ-UHFFFAOYSA-N
MW417.49 g/mol
LogP0.82
Rot. Bonds7

About 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide

6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide (PubChem CID 53380419) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide.

Molecular Properties

Compound Name6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
PubChem CID53380419
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide
SMILESNC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCCCN3CCOCC3)cc12
InChIInChI=1S/C19H23N5O4S/c20-19(25)18-17-14(4-6-21-18)15-12-13(2-3-16(15)23-17)29(26,27)22-5-1-7-24-8-10-28-11-9-24/h2-4,6,12,22-23H,1,5,7-11H2,(H2,20,25)
InChIKeyRRXPIZFYRWXOPZ-UHFFFAOYSA-N
XLogP0.82
TPSA130.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
3-amino-4-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 115328739
N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 9469996
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748
4-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43348231
5-(3-morpholin-4-ylpropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 60912033
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
2-methyl-5-(3-piperazin-1-ylpropylsulfamoyl)benzamide;dihydrochloride
CID 119994544
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
CID 106030588
2-chloro-N-(3-morpholin-4-ylpropyl)pyridine-3-sulfonamide
CID 43415001

Frequently Asked Questions

What is the IUPAC name of 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The IUPAC name of 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide (CID 53380419) is 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide.
What is the SMILES notation for 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The canonical SMILES for 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide is NC(=O)c1nccc2c1[nH]c1ccc(S(=O)(=O)NCCCN3CCOCC3)cc12.
What is the InChIKey of 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
The InChIKey is RRXPIZFYRWXOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c20-19(25)18-17-14(4-6-21-18)15-12-13(2-3-16(15)23-17)29(26,27)22-5-1-7-24-8-10-28-11-9-24/h2-4,6,12,22-23H,1,5,7-11H2,(H2,20,25).
What are the key properties of 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide?
6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-morpholin-4-ylpropylsulfamoyl)-9H-pyrido[3,4-b]indole-1-carboxamide is sourced from PubChem (CID 53380419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).