N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide

C24H18BrN5O4S — CID 10302828

IUPACN-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C24H18BrN5O4S/c25-17-11-12-21(28-14-17)30-24(32)22-19(5-3-13-27-22)29-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32)
InChIKeyMDSPRVILVNUAGV-UHFFFAOYSA-N
MW552.41 g/mol
LogP4.06
Rot. Bonds6

About N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide

N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide (PubChem CID 10302828) has the molecular formula C24H18BrN5O4S and a molecular weight of 552.41 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide
PubChem CID10302828
Molecular FormulaC24H18BrN5O4S
Molecular Weight552.41 g/mol
Exact Mass551.03
IUPAC NameN-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Br)cn2)cc1
InChIInChI=1S/C24H18BrN5O4S/c25-17-11-12-21(28-14-17)30-24(32)22-19(5-3-13-27-22)29-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32)
InChIKeyMDSPRVILVNUAGV-UHFFFAOYSA-N
XLogP4.06
TPSA144.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.41
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

5-amino-N-(5-bromo-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
CID 22596430
N'-(5-bromo-2-pyridinyl)-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enediamide
CID 73460739
N'-(5-bromo-2-pyridinyl)-N-[2-(dimethylamino)ethyl]-N-methyl-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanediamide
CID 10145948
N-[4-[(5-bromo-2-pyridinyl)amino]-1-(4-methylpiperazin-1-yl)-1,4-dioxobutan-2-yl]-4-(2-sulfamoylphenyl)benzamide
CID 10122004
4-(methanesulfonamido)-N-(5-methyl-2-pyridinyl)-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]benzamide
CID 59676755
ethyl 2-[[4-[(5-bromo-2-pyridinyl)amino]-4-oxo-2-[[4-(2-sulfamoylphenyl)benzoyl]amino]butanoyl]amino]acetate
CID 10168207
N-(5-bromo-2-pyridinyl)-4-(3-fluoro-2-pyridinyl)benzamide
CID 59673732
N-(5-bromo-2-pyridinyl)-4-iodobenzamide
CID 4066488
3-methyl-N-(2-sulfamoylphenyl)pyridine-2-carboxamide
CID 62340174
N-(2-butan-2-ylphenyl)-4-(2-sulfamoylphenyl)benzamide
CID 142083128
N-(5-bromo-2-pyridinyl)-4-methylsulfonylbenzamide
CID 60650971
N-[[2-[4-[[4-chloro-2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]phenyl]-methylidene-oxo-λ6-sulfanyl]pyridine-4-carboxamide
CID 90767981

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide (CID 10302828) is N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide is NS(=O)(=O)c1ccccc1-c1ccc(C(=O)Nc2cccnc2C(=O)Nc2ccc(Br)cn2)cc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide?
The InChIKey is MDSPRVILVNUAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN5O4S/c25-17-11-12-21(28-14-17)30-24(32)22-19(5-3-13-27-22)29-23(31)16-9-7-15(8-10-16)18-4-1-2-6-20(18)35(26,33)34/h1-14H,(H,29,31)(H2,26,33,34)(H,28,30,32).
What are the key properties of N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide?
N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide has a molecular weight of 552.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-3-[[4-(2-sulfamoylphenyl)benzoyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 10302828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).