5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide

C11H19N5O3S — CID 107374837

IUPAC5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCCS(N)(=O)=O)cn1
InChIInChI=1S/C11H19N5O3S/c1-2-4-13-10-8-15-9(7-16-10)11(17)14-5-3-6-20(12,18)19/h7-8H,2-6H2,1H3,(H,13,16)(H,14,17)(H2,12,18,19)
InChIKeyULJBNDYIUDHRSY-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.29
Rot. Bonds8

About 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide

5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide (PubChem CID 107374837) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
PubChem CID107374837
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NCCCS(N)(=O)=O)cn1
InChIInChI=1S/C11H19N5O3S/c1-2-4-13-10-8-15-9(7-16-10)11(17)14-5-3-6-20(12,18)19/h7-8H,2-6H2,1H3,(H,13,16)(H,14,17)(H2,12,18,19)
InChIKeyULJBNDYIUDHRSY-UHFFFAOYSA-N
XLogP-0.29
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
5-chloro-2-(propylamino)-N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 114922642
N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
N-[3-(dimethylamino)propyl]-5-[3-(dimethylamino)propylamino]pyrazine-2-carboxamide
CID 109277733
N-butyl-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109272339
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
5-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrazine-2-carboxamide
CID 109277279
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810

Frequently Asked Questions

What is the IUPAC name of 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide (CID 107374837) is 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NCCCS(N)(=O)=O)cn1.
What is the InChIKey of 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide?
The InChIKey is ULJBNDYIUDHRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-2-4-13-10-8-15-9(7-16-10)11(17)14-5-3-6-20(12,18)19/h7-8H,2-6H2,1H3,(H,13,16)(H,14,17)(H2,12,18,19).
What are the key properties of 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide?
5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of -0.29, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propylamino)-N-(3-sulfamoylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107374837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).