N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C26H30N4O6S — CID 121253072

IUPACN-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(OC)cc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1
InChIInChI=1S/C26H30N4O6S/c1-17-15-26(2,3)30(16-17)24-21(8-7-11-27-24)25(31)29-37(32,33)23-10-6-9-22(28-23)36-20-13-18(34-4)12-19(14-20)35-5/h6-14,17H,15-16H2,1-5H3,(H,29,31)
InChIKeyYXBLXOUKFQYQPX-UHFFFAOYSA-N
MW526.62 g/mol
LogP4.03
Rot. Bonds8

About N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121253072) has the molecular formula C26H30N4O6S and a molecular weight of 526.62 g/mol. Its IUPAC name is N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121253072
Molecular FormulaC26H30N4O6S
Molecular Weight526.62 g/mol
Exact Mass526.19
IUPAC NameN-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCOc1cc(OC)cc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1
InChIInChI=1S/C26H30N4O6S/c1-17-15-26(2,3)30(16-17)24-21(8-7-11-27-24)25(31)29-37(32,33)23-10-6-9-22(28-23)36-20-13-18(34-4)12-19(14-20)35-5/h6-14,17H,15-16H2,1-5H3,(H,29,31)
InChIKeyYXBLXOUKFQYQPX-UHFFFAOYSA-N
XLogP4.03
TPSA119.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.62
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-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

Related Compounds

N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251383
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252018
N-[(6-ethoxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251904
N-[[6-(3-methoxy-5-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515050
N-[[6-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252682
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121254179
N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427542
N-[[6-(cyclopenta-1,4-dien-1-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427230
N-[[6-[2-(3-fluorophenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251736
N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252235
N-[[6-[(3-pyrrol-1-ylphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253382
N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253127

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121253072) is N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is COc1cc(OC)cc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)c1.
What is the InChIKey of N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is YXBLXOUKFQYQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O6S/c1-17-15-26(2,3)30(16-17)24-21(8-7-11-27-24)25(31)29-37(32,33)23-10-6-9-22(28-23)36-20-13-18(34-4)12-19(14-20)35-5/h6-14,17H,15-16H2,1-5H3,(H,29,31).
What are the key properties of N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 526.62 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121253072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).