2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide

C10H15N5O5S — CID 106342495

IUPAC2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide
SMILESCNc1ncc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C10H15N5O5S/c1-11-9-8(5-7(6-14-9)15(17)18)10(16)13-3-4-21(19,20)12-2/h5-6,12H,3-4H2,1-2H3,(H,11,14)(H,13,16)
InChIKeyVBDXYHAJOBMXHJ-UHFFFAOYSA-N
MW317.33 g/mol
LogP-0.69
Rot. Bonds7

About 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide

2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide (PubChem CID 106342495) has the molecular formula C10H15N5O5S and a molecular weight of 317.33 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide
PubChem CID106342495
Molecular FormulaC10H15N5O5S
Molecular Weight317.33 g/mol
Exact Mass317.08
IUPAC Name2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide
SMILESCNc1ncc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)NC
InChIInChI=1S/C10H15N5O5S/c1-11-9-8(5-7(6-14-9)15(17)18)10(16)13-3-4-21(19,20)12-2/h5-6,12H,3-4H2,1-2H3,(H,11,14)(H,13,16)
InChIKeyVBDXYHAJOBMXHJ-UHFFFAOYSA-N
XLogP-0.69
TPSA143.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.33
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-(methylsulfamoyl)ethyl]-5-nitrobenzamide
CID 106336080
N-tert-butyl-2-(methylamino)-5-nitropyridine-3-carboxamide
CID 114047907
2-chloro-N-(3-methylsulfonylpropyl)-5-nitropyridine-3-carboxamide
CID 103803706
5-bromo-2-(ethylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342458
N-methyl-2-[(5-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 102675378
2-chloro-N-[3-(methylamino)propyl]-5-nitropyridine-3-carboxamide
CID 114046917
4-hydrazinyl-6-methyl-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106340847
5-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyrazine-2-carboxamide
CID 114175973
4-amino-6-methyl-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342544
2-amino-N-[3-(methylamino)-3-oxopropyl]-5-nitropyridine-3-carboxamide
CID 104586620
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 114175674
6-(methylamino)-N-[2-(methylsulfamoyl)ethyl]pyridine-3-carboxamide
CID 106342502

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide?
The IUPAC name of 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide (CID 106342495) is 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide?
The canonical SMILES for 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide is CNc1ncc([N+](=O)[O-])cc1C(=O)NCCS(=O)(=O)NC.
What is the InChIKey of 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide?
The InChIKey is VBDXYHAJOBMXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O5S/c1-11-9-8(5-7(6-14-9)15(17)18)10(16)13-3-4-21(19,20)12-2/h5-6,12H,3-4H2,1-2H3,(H,11,14)(H,13,16).
What are the key properties of 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide?
2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide has a molecular weight of 317.33 g/mol, XLogP of -0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(methylsulfamoyl)ethyl]-5-nitropyridine-3-carboxamide is sourced from PubChem (CID 106342495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).