2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide

C10H14N6O4S — CID 132990948

IUPAC2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)N=C(N)N
InChIInChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)
InChIKeyJIZXOFJDALMBAQ-UHFFFAOYSA-N
MW314.33 g/mol
LogP-1.54
Rot. Bonds3

About 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide

2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 132990948) has the molecular formula C10H14N6O4S and a molecular weight of 314.33 g/mol. Its IUPAC name is 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
PubChem CID132990948
Molecular FormulaC10H14N6O4S
Molecular Weight314.33 g/mol
Exact Mass314.08
IUPAC Name2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide
SMILESCN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)N=C(N)N
InChIInChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18)
InChIKeyJIZXOFJDALMBAQ-UHFFFAOYSA-N
XLogP-1.54
TPSA160.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-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

3-Pyridinecarboxamide, 2-(aminosulfonyl)-N,N-dimethyl-
CID 14346876
N-Methyl-2-sulfamoylpyridine-3-carboxamide
CID 21645260
2-((carbamoylcarbamoyl)sulfamoyl)-N,N-dimethylpyridine-3-carboxamide
CID 139594706
2-(N-((4-Hydroxy-6-methoxypyrimidin-2-yl)carbamoyl)sulfamoyl)-N,N-dimethylnicotinamide
CID 139595163
(4-Propylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 719649
2H,3H-[1,2]thiazolo[5,4-b]pyridin-3-one
CID 2727563
N'-Benzenesulphono-N-nicotinohydrazide
CID 73099
2-(Methylthio)nicotinamide
CID 2774544
N-[4-(ethylsulfamoyl)phenyl]pyridine-3-carboxamide
CID 701256
2-Isobutyl-isothiazolo[5,4-b]pyridin-3-one
CID 11127503
N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide
CID 44532283
(4-Ethylsulfonylpiperazin-1-yl)-pyridin-3-ylmethanone
CID 719637

Frequently Asked Questions

What is the IUPAC name of 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide (CID 132990948) is 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide is CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)N=C(N)N.
What is the InChIKey of 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is JIZXOFJDALMBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O4S/c1-16(2)8(17)6-4-3-5-13-7(6)21(19,20)15-10(18)14-9(11)12/h3-5H,1-2H3,(H5,11,12,14,15,18).
What are the key properties of 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide?
2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 314.33 g/mol, XLogP of -1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diaminomethylidenecarbamoylsulfamoyl)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 132990948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).