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

C25H34N4O4S — CID 121254179

IUPACN-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCCC3CCCC3)n2)C(C)(C)C1
InChIInChI=1S/C25H34N4O4S/c1-18-16-25(2,3)29(17-18)23-20(10-7-14-26-23)24(30)28-34(31,32)22-12-6-11-21(27-22)33-15-13-19-8-4-5-9-19/h6-7,10-12,14,18-19H,4-5,8-9,13,15-17H2,1-3H3,(H,28,30)
InChIKeyDATWAFNGGMCTFM-UHFFFAOYSA-N
MW486.64 g/mol
LogP4.18
Rot. Bonds8

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

N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121254179) has the molecular formula C25H34N4O4S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121254179
Molecular FormulaC25H34N4O4S
Molecular Weight486.64 g/mol
Exact Mass486.23
IUPAC NameN-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCCC3CCCC3)n2)C(C)(C)C1
InChIInChI=1S/C25H34N4O4S/c1-18-16-25(2,3)29(17-18)23-20(10-7-14-26-23)24(30)28-34(31,32)22-12-6-11-21(27-22)33-15-13-19-8-4-5-9-19/h6-7,10-12,14,18-19H,4-5,8-9,13,15-17H2,1-3H3,(H,28,30)
InChIKeyDATWAFNGGMCTFM-UHFFFAOYSA-N
XLogP4.18
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.64
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514810
N-[(6-ethoxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251904
N-[[6-[2-(4-methylphenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427542
N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253452
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-thiophen-3-ylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121254001
N-[[6-[2-(3-fluorophenyl)ethoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251736
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-(cyclooctylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250677
N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253072
N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251383
N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252235

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121254179) is N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCCC3CCCC3)n2)C(C)(C)C1.
What is the InChIKey of N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is DATWAFNGGMCTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O4S/c1-18-16-25(2,3)29(17-18)23-20(10-7-14-26-23)24(30)28-34(31,32)22-12-6-11-21(27-22)33-15-13-19-8-4-5-9-19/h6-7,10-12,14,18-19H,4-5,8-9,13,15-17H2,1-3H3,(H,28,30).
What are the key properties of N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121254179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).