N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide

C20H28N4O3S — CID 26880756

IUPACN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccn1
InChIInChI=1S/C20H28N4O3S/c1-5-23(6-2)19-13-12-16(28(26,27)24(7-3)8-4)15-18(19)22-20(25)17-11-9-10-14-21-17/h9-15H,5-8H2,1-4H3,(H,22,25)
InChIKeyJHPANFRAELTOQG-UHFFFAOYSA-N
MW404.54 g/mol
LogP3.21
Rot. Bonds9

About N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide

N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 26880756) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
PubChem CID26880756
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccn1
InChIInChI=1S/C20H28N4O3S/c1-5-23(6-2)19-13-12-16(28(26,27)24(7-3)8-4)15-18(19)22-20(25)17-11-9-10-14-21-17/h9-15H,5-8H2,1-4H3,(H,22,25)
InChIKeyJHPANFRAELTOQG-UHFFFAOYSA-N
XLogP3.21
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(diethylamino)-5-piperidin-1-ylsulfonylphenyl]pyridine-2-carboxamide
CID 25336498
N-[5-(diethylsulfamoyl)-2-(4-ethylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 4851065
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-methylbutanamide
CID 46511241
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 16562748
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4830026
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pentanamide
CID 55330958
4-(diethylsulfamoyl)-N-pyridin-2-ylbenzamide
CID 46671899
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3547247
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]pyridine-2-carboxamide
CID 4877827
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)acetamide
CID 55667081
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-6-methylpyridine-2-carboxamide
CID 32930504
N-[6-(dipropylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-2-carboxamide
CID 4282059

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide (CID 26880756) is N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccn1.
What is the InChIKey of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is JHPANFRAELTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-5-23(6-2)19-13-12-16(28(26,27)24(7-3)8-4)15-18(19)22-20(25)17-11-9-10-14-21-17/h9-15H,5-8H2,1-4H3,(H,22,25).
What are the key properties of N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide?
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 26880756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).