N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide

C18H24N4O3S — CID 109237741

IUPACN-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)22-17(23)14-10-15(12-20-11-14)21-9-8-13-4-6-16(7-5-13)26(19,24)25/h4-7,10-12,21H,8-9H2,1-3H3,(H,22,23)(H2,19,24,25)
InChIKeyQZUWXPUYOLXFID-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.91
Rot. Bonds6

About N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide

N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide (PubChem CID 109237741) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
PubChem CID109237741
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(NCCc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C18H24N4O3S/c1-18(2,3)22-17(23)14-10-15(12-20-11-14)21-9-8-13-4-6-16(7-5-13)26(19,24)25/h4-7,10-12,21H,8-9H2,1-3H3,(H,22,23)(H2,19,24,25)
InChIKeyQZUWXPUYOLXFID-UHFFFAOYSA-N
XLogP1.91
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109227677
N-cyclopropyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide
CID 109223606
4-[2-[[5-(piperidine-1-carbonyl)-3-pyridinyl]amino]ethyl]benzenesulfonamide
CID 109226302
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239083
N-tert-butyl-5-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxamide
CID 109227546
5-[2-(4-fluorophenyl)ethylamino]-N-propan-2-ylpyridine-3-carboxamide
CID 109223200
5-N-prop-2-enyl-3-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109101769
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227666
N-(2,5-dimethylphenyl)-5-[2-(4-fluorophenyl)ethylamino]pyridine-3-carboxamide
CID 109236524
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
5-[2-(4-chlorophenyl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227679
5-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109237845

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide (CID 109237741) is N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(NCCc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is QZUWXPUYOLXFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-18(2,3)22-17(23)14-10-15(12-20-11-14)21-9-8-13-4-6-16(7-5-13)26(19,24)25/h4-7,10-12,21H,8-9H2,1-3H3,(H,22,23)(H2,19,24,25).
What are the key properties of N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide?
N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[2-(4-sulfamoylphenyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109237741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).