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

C26H30N4O5S — CID 175514707

IUPACN-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCOc1cccc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)c1
InChIInChI=1S/C26H30N4O5S/c1-5-34-19-9-6-10-20(17-19)35-22-12-7-13-23(28-22)36(32,33)29-25(31)21-11-8-15-27-24(21)30-16-14-18(2)26(30,3)4/h6-13,15,17-18H,5,14,16H2,1-4H3,(H,29,31)
InChIKeyAFYGYIOODGLRSX-UHFFFAOYSA-N
MW510.62 g/mol
LogP4.41
Rot. Bonds8

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

N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514707) has the molecular formula C26H30N4O5S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175514707
Molecular FormulaC26H30N4O5S
Molecular Weight510.62 g/mol
Exact Mass510.19
IUPAC NameN-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCCOc1cccc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)c1
InChIInChI=1S/C26H30N4O5S/c1-5-34-19-9-6-10-20(17-19)35-22-12-7-13-23(28-22)36(32,33)29-25(31)21-11-8-15-27-24(21)30-16-14-18(2)26(30,3)4/h6-13,15,17-18H,5,14,16H2,1-4H3,(H,29,31)
InChIKeyAFYGYIOODGLRSX-UHFFFAOYSA-N
XLogP4.41
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-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-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514707) is N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CCOc1cccc(Oc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)c1.
What is the InChIKey of N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is AFYGYIOODGLRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5S/c1-5-34-19-9-6-10-20(17-19)35-22-12-7-13-23(28-22)36(32,33)29-25(31)21-11-8-15-27-24(21)30-16-14-18(2)26(30,3)4/h6-13,15,17-18H,5,14,16H2,1-4H3,(H,29,31).
What are the key properties of N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 510.62 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).