4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide

C11H18N4O3S — CID 81242250

IUPAC4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-2-14-10-4-6-13-8-9(10)11(16)15-5-3-7-19(12,17)18/h4,6,8H,2-3,5,7H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyBDNJBLWKEHPILI-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.08
Rot. Bonds7

About 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide

4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide (PubChem CID 81242250) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
PubChem CID81242250
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide
SMILESCCNc1ccncc1C(=O)NCCCS(N)(=O)=O
InChIInChI=1S/C11H18N4O3S/c1-2-14-10-4-6-13-8-9(10)11(16)15-5-3-7-19(12,17)18/h4,6,8H,2-3,5,7H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18)
InChIKeyBDNJBLWKEHPILI-UHFFFAOYSA-N
XLogP-0.08
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
N-(3-amino-3-oxopropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81243085
4-hydrazinyl-N-(2-sulfamoylethyl)pyridine-3-carboxamide
CID 81256506
4-(ethylamino)-N-(7-methyloctyl)pyridine-3-carboxamide
CID 107817983
N-[2-(dimethylamino)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81236873
4-(methylamino)-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81242256
N-(2,2-dimethylpropyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81242453
N-(2-methylsulfonylethyl)-4-(propylamino)pyridine-3-carboxamide
CID 81234637
N-(3-sulfamoylpropyl)pyridine-4-carboxamide
CID 47337075
4-(ethylamino)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-carboxamide
CID 81241199
N-(2,2-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 103464518
N-(2,3-dimethylbutyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81246052

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide (CID 81242250) is 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide is CCNc1ccncc1C(=O)NCCCS(N)(=O)=O.
What is the InChIKey of 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide?
The InChIKey is BDNJBLWKEHPILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-2-14-10-4-6-13-8-9(10)11(16)15-5-3-7-19(12,17)18/h4,6,8H,2-3,5,7H2,1H3,(H,13,14)(H,15,16)(H2,12,17,18).
What are the key properties of 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide?
4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-(3-sulfamoylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 81242250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).