N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide

C25H26N4O4S — CID 121251557

IUPACN-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C#N)cc(C)c1Oc1nc(C(C)(C)C)ccc1C(=O)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C25H26N4O4S/c1-15-11-17(14-26)12-16(2)22(15)33-24-20(9-10-21(28-24)25(3,4)5)23(30)29-34(31,32)19-8-6-7-18(27)13-19/h6-13H,27H2,1-5H3,(H,29,30)
InChIKeyDDSWIUXBEPQJAS-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.36
Rot. Bonds5

About N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide

N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251557) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251557
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC NameN-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C#N)cc(C)c1Oc1nc(C(C)(C)C)ccc1C(=O)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C25H26N4O4S/c1-15-11-17(14-26)12-16(2)22(15)33-24-20(9-10-21(28-24)25(3,4)5)23(30)29-34(31,32)19-8-6-7-18(27)13-19/h6-13H,27H2,1-5H3,(H,29,30)
InChIKeyDDSWIUXBEPQJAS-UHFFFAOYSA-N
XLogP4.36
TPSA135.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide (CID 121251557) is N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C#N)cc(C)c1Oc1nc(C(C)(C)C)ccc1C(=O)NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is DDSWIUXBEPQJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-15-11-17(14-26)12-16(2)22(15)33-24-20(9-10-21(28-24)25(3,4)5)23(30)29-34(31,32)19-8-6-7-18(27)13-19/h6-13H,27H2,1-5H3,(H,29,30).
What are the key properties of N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide?
N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 478.57 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)sulfonyl-6-tert-butyl-2-(4-cyano-2,6-dimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).