N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide

C14H13N5O4S2 — CID 6611245

IUPACN-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide
SMILESNC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H13N5O4S2/c15-13(21)19-25(22,23)11-5-3-10(4-6-11)17-14(24)18-12(20)9-2-1-7-16-8-9/h1-8H,(H3,15,19,21)(H2,17,18,20,24)
InChIKeyRTDMUAUYROTARN-UHFFFAOYSA-N
MW379.42 g/mol
LogP0.57
Rot. Bonds4

About N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide

N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide (PubChem CID 6611245) has the molecular formula C14H13N5O4S2 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide
PubChem CID6611245
Molecular FormulaC14H13N5O4S2
Molecular Weight379.42 g/mol
Exact Mass379.04
IUPAC NameN-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide
SMILESNC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccnc2)cc1
InChIInChI=1S/C14H13N5O4S2/c15-13(21)19-25(22,23)11-5-3-10(4-6-11)17-14(24)18-12(20)9-2-1-7-16-8-9/h1-8H,(H3,15,19,21)(H2,17,18,20,24)
InChIKeyRTDMUAUYROTARN-UHFFFAOYSA-N
XLogP0.57
TPSA143.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(acetylcarbamothioylamino)phenyl]pyridine-3-carboxamide
CID 930177
methyl (2S)-2-(pyridine-3-carbonylcarbamothioylamino)propanoate
CID 131844422
N-[(4-phenylmethoxyphenyl)carbamothioyl]pyridine-3-carboxamide
CID 1297746
N-[4-(2-aminoethyl)phenyl]sulfonylpyridine-3-carboxamide
CID 110839438
ethyl 3-(pyridine-3-carbonylcarbamothioylamino)benzoate
CID 845490
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]pyridine-3-carboxamide
CID 4263456
4-[2-(pyridine-3-carbonyl)hydrazinyl]benzenesulfonamide
CID 10661301
N-[(2R)-2,3-diamino-3-sulfanylidenepropanoyl]pyridine-3-carboxamide
CID 90174460
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-(carbamoylsulfamoyl)phenyl]-3-methylbenzamide
CID 38112845
1-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-3-pyridin-3-ylthiourea
CID 25041089
N-[4-(carbamothioylamino)phenyl]sulfonyl-1-oxidopyridin-1-ium-3-carboxamide
CID 169359557

Frequently Asked Questions

What is the IUPAC name of N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide?
The IUPAC name of N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide (CID 6611245) is N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide is NC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide?
The InChIKey is RTDMUAUYROTARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4S2/c15-13(21)19-25(22,23)11-5-3-10(4-6-11)17-14(24)18-12(20)9-2-1-7-16-8-9/h1-8H,(H3,15,19,21)(H2,17,18,20,24).
What are the key properties of N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide?
N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(carbamoylsulfamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide is sourced from PubChem (CID 6611245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).