N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide

C22H21N3O4S — CID 20960008

IUPACN-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H21N3O4S/c1-14-4-9-21(15(2)10-14)30(28,29)25-20-11-18(12-23-13-20)22(27)24-19-7-5-17(6-8-19)16(3)26/h4-13,25H,1-3H3,(H,24,27)
InChIKeyPZMUDCDZAODFDI-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.95
Rot. Bonds6

About N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide

N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide (PubChem CID 20960008) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
PubChem CID20960008
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)cc1
InChIInChI=1S/C22H21N3O4S/c1-14-4-9-21(15(2)10-14)30(28,29)25-20-11-18(12-23-13-20)22(27)24-19-7-5-17(6-8-19)16(3)26/h4-13,25H,1-3H3,(H,24,27)
InChIKeyPZMUDCDZAODFDI-UHFFFAOYSA-N
XLogP3.95
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960022
N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960019
N-(2,6-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960015
N-(4-acetylphenyl)-5-(2,4-dimethylanilino)pyridine-3-carboxamide
CID 109242751
N-(4-acetylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239442
N-(4-acetylphenyl)-5-(2,6-dimethylanilino)pyridine-3-carboxamide
CID 109243199
5-(4-acetylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241874
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
N-(4-acetylphenyl)-2-bromo-4-methylbenzenesulfonamide
CID 35506281
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235727

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide (CID 20960008) is N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide is CC(=O)c1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
The InChIKey is PZMUDCDZAODFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-14-4-9-21(15(2)10-14)30(28,29)25-20-11-18(12-23-13-20)22(27)24-19-7-5-17(6-8-19)16(3)26/h4-13,25H,1-3H3,(H,24,27).
What are the key properties of N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide is sourced from PubChem (CID 20960008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).