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

C27H32N4O4S — CID 153427542

IUPACN-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(CCOc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)cc1
InChIInChI=1S/C27H32N4O4S/c1-19-10-12-21(13-11-19)14-16-35-23-8-5-9-24(29-23)36(33,34)30-26(32)22-7-6-15-28-25(22)31-18-20(2)17-27(31,3)4/h5-13,15,20H,14,16-18H2,1-4H3,(H,30,32)
InChIKeyZIVAKKMXKQJZMK-UHFFFAOYSA-N
MW508.64 g/mol
LogP4.15
Rot. Bonds8

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

N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427542) has the molecular formula C27H32N4O4S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID153427542
Molecular FormulaC27H32N4O4S
Molecular Weight508.64 g/mol
Exact Mass508.21
IUPAC NameN-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(CCOc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)cc1
InChIInChI=1S/C27H32N4O4S/c1-19-10-12-21(13-11-19)14-16-35-23-8-5-9-24(29-23)36(33,34)30-26(32)22-7-6-15-28-25(22)31-18-20(2)17-27(31,3)4/h5-13,15,20H,14,16-18H2,1-4H3,(H,30,32)
InChIKeyZIVAKKMXKQJZMK-UHFFFAOYSA-N
XLogP4.15
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427542) is N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is Cc1ccc(CCOc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)cc1.
What is the InChIKey of N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZIVAKKMXKQJZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4S/c1-19-10-12-21(13-11-19)14-16-35-23-8-5-9-24(29-23)36(33,34)30-26(32)22-7-6-15-28-25(22)31-18-20(2)17-27(31,3)4/h5-13,15,20H,14,16-18H2,1-4H3,(H,30,32).
What are the key properties of N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 508.64 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).