N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C31H39N5O4S — CID 121251974

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(/C=C/c2cc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)CC3(C)C)nc2C(C)(C)C)cc1
InChIInChI=1S/C31H39N5O4S/c1-20-18-31(5,6)36(19-20)28-24(29(37)35-41(38,39)26-10-8-9-25(32)33-26)17-22(27(34-28)30(2,3)4)14-11-21-12-15-23(40-7)16-13-21/h8-17,20H,18-19H2,1-7H3,(H2,32,33)(H,35,37)/b14-11+
InChIKeySSYXIIKLUWRQQV-SDNWHVSQSA-N
MW577.75 g/mol
LogP5.28
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121251974) has the molecular formula C31H39N5O4S and a molecular weight of 577.75 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121251974
Molecular FormulaC31H39N5O4S
Molecular Weight577.75 g/mol
Exact Mass577.27
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(/C=C/c2cc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)CC3(C)C)nc2C(C)(C)C)cc1
InChIInChI=1S/C31H39N5O4S/c1-20-18-31(5,6)36(19-20)28-24(29(37)35-41(38,39)26-10-8-9-25(32)33-26)17-22(27(34-28)30(2,3)4)14-11-21-12-15-23(40-7)16-13-21/h8-17,20H,18-19H2,1-7H3,(H2,32,33)(H,35,37)/b14-11+
InChIKeySSYXIIKLUWRQQV-SDNWHVSQSA-N
XLogP5.28
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.75
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)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-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121251974) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1ccc(/C=C/c2cc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CC(C)CC3(C)C)nc2C(C)(C)C)cc1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is SSYXIIKLUWRQQV-SDNWHVSQSA-N. The full InChI is InChI=1S/C31H39N5O4S/c1-20-18-31(5,6)36(19-20)28-24(29(37)35-41(38,39)26-10-8-9-25(32)33-26)17-22(27(34-28)30(2,3)4)14-11-21-12-15-23(40-7)16-13-21/h8-17,20H,18-19H2,1-7H3,(H2,32,33)(H,35,37)/b14-11+.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 577.75 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121251974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).