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

C22H23N3O3S — CID 20960019

IUPACN-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C22H23N3O3S/c1-14-5-7-20(16(3)9-14)24-22(26)18-11-19(13-23-12-18)25-29(27,28)21-8-6-15(2)10-17(21)4/h5-13,25H,1-4H3,(H,24,26)
InChIKeyPIGQHCICZKBCBJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.37
Rot. Bonds5

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

N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide (PubChem CID 20960019) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
PubChem CID20960019
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c(C)c1
InChIInChI=1S/C22H23N3O3S/c1-14-5-7-20(16(3)9-14)24-22(26)18-11-19(13-23-12-18)25-29(27,28)21-8-6-15(2)10-17(21)4/h5-13,25H,1-4H3,(H,24,26)
InChIKeyPIGQHCICZKBCBJ-UHFFFAOYSA-N
XLogP4.37
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960015
N-(4-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960008
N-(3-acetylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20960022
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
N-(2,4-dimethylphenyl)-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232671
5-N-(2,4-dimethylphenyl)-3-N-(4-methylphenyl)pyridine-3,5-dicarboxamide
CID 109107985
N-(2,4-dimethylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239914
N-(2,4-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109242670
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 7161193
5-(2,4-difluoroanilino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242709
4-chloro-N-(2,4-dimethylphenyl)-3-(phenylsulfamoyl)benzamide
CID 4655092
N-(2,4-dimethylphenyl)-5-(3-fluoroanilino)pyridine-3-carboxamide
CID 109242702

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide (CID 20960019) is N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccc(C)cc3C)c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
The InChIKey is PIGQHCICZKBCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-14-5-7-20(16(3)9-14)24-22(26)18-11-19(13-23-12-18)25-29(27,28)21-8-6-15(2)10-17(21)4/h5-13,25H,1-4H3,(H,24,26).
What are the key properties of N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide?
N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxamide is sourced from PubChem (CID 20960019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).