6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide

C22H26N4O3S — CID 4642301

IUPAC6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C22H26N4O3S/c1-4-5-11-24-30(28,29)17-8-9-20-18(12-17)19(22(27)25-15(2)3)13-21(26-20)16-7-6-10-23-14-16/h6-10,12-15,24H,4-5,11H2,1-3H3,(H,25,27)
InChIKeyDTQBYTVTWAAUHU-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.51
Rot. Bonds8

About 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide

6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 4642301) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID4642301
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC Name6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC(C)C)c2c1
InChIInChI=1S/C22H26N4O3S/c1-4-5-11-24-30(28,29)17-8-9-20-18(12-17)19(22(27)25-15(2)3)13-21(26-20)16-7-6-10-23-14-16/h6-10,12-15,24H,4-5,11H2,1-3H3,(H,25,27)
InChIKeyDTQBYTVTWAAUHU-UHFFFAOYSA-N
XLogP3.51
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Mitapivat
CID 59634741
Tubulin inhibitor 11
CID 139369407
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)-N-(pyridin-4-yl)benzamide
CID 21865580
N-(4-(methylsulfonyl)phenyl)-3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzamide
CID 21865627
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2-(4-pyridyl)cinchoninamide
CID 2126848
N-[(2S)-4-methyl-1-oxo-1-[[(4S)-3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl]amino]pentan-2-yl]quinoline-2-carboxamide
CID 11504785
2-methyl-5-[(3-methylphenyl)sulfamoyl]-N-(pyridin-3-ylmethyl)benzamide
CID 2386434
N-(2-tert-butylphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2386554
N-cyclooctyl-2-pyridin-2-ylquinoline-4-carboxamide
CID 4229897
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 4877448
3-(methylsulfinyl)-2-phenyl-N-((S)-1-(pyridin-3-yl)propyl)quinoline-4-carboxamide
CID 53320156

Frequently Asked Questions

What is the IUPAC name of 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide (CID 4642301) is 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide is CCCCNS(=O)(=O)c1ccc2nc(-c3cccnc3)cc(C(=O)NC(C)C)c2c1.
What is the InChIKey of 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is DTQBYTVTWAAUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-4-5-11-24-30(28,29)17-8-9-20-18(12-17)19(22(27)25-15(2)3)13-21(26-20)16-7-6-10-23-14-16/h6-10,12-15,24H,4-5,11H2,1-3H3,(H,25,27).
What are the key properties of 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide?
6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 426.54 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(butylsulfamoyl)-N-propan-2-yl-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 4642301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).