6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

C20H20N4O3S — CID 109159783

IUPAC6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Nc3ccccc3)nc2)cc1
InChIInChI=1S/C20H20N4O3S/c21-28(26,27)18-9-6-15(7-10-18)12-13-22-20(25)16-8-11-19(23-14-16)24-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyIAFGQOGNIWMNSZ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.45
Rot. Bonds7

About 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide

6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 109159783) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID109159783
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Nc3ccccc3)nc2)cc1
InChIInChI=1S/C20H20N4O3S/c21-28(26,27)18-9-6-15(7-10-18)12-13-22-20(25)16-8-11-19(23-14-16)24-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,22,25)(H,23,24)(H2,21,26,27)
InChIKeyIAFGQOGNIWMNSZ-UHFFFAOYSA-N
XLogP2.45
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352293
N-(2-phenylethyl)-6-(4-phenylmethoxyanilino)pyridine-3-carboxamide
CID 1441278
6-(3,4-difluoroanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158344
N-[5-[2-(4-sulfamoylphenyl)ethylamino]-2-pyridinyl]benzamide
CID 113028945
6-anilinopyridine-3-sulfonamide
CID 154206301
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
2-(propan-2-ylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 109247115
N-(2-phenylethyl)-6-(propan-2-ylamino)pyridine-3-carboxamide
CID 44764076
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
methyl 4-[[5-(3-phenylpropylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109160864

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide (CID 109159783) is 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Nc3ccccc3)nc2)cc1.
What is the InChIKey of 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is IAFGQOGNIWMNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c21-28(26,27)18-9-6-15(7-10-18)12-13-22-20(25)16-8-11-19(23-14-16)24-17-4-2-1-3-5-17/h1-11,14H,12-13H2,(H,22,25)(H,23,24)(H2,21,26,27).
What are the key properties of 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide?
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.45, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 109159783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).