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

C23H30N4O5S — CID 121253452

IUPACN-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCC3CCCO3)n2)C(C)(C)C1
InChIInChI=1S/C23H30N4O5S/c1-16-13-23(2,3)27(14-16)21-18(8-5-11-24-21)22(28)26-33(29,30)20-10-4-9-19(25-20)32-15-17-7-6-12-31-17/h4-5,8-11,16-17H,6-7,12-15H2,1-3H3,(H,26,28)
InChIKeyWKCOBZOKJRXOEF-UHFFFAOYSA-N
MW474.58 g/mol
LogP2.78
Rot. Bonds7

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

N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 121253452) has the molecular formula C23H30N4O5S and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID121253452
Molecular FormulaC23H30N4O5S
Molecular Weight474.58 g/mol
Exact Mass474.19
IUPAC NameN-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCC3CCCO3)n2)C(C)(C)C1
InChIInChI=1S/C23H30N4O5S/c1-16-13-23(2,3)27(14-16)21-18(8-5-11-24-21)22(28)26-33(29,30)20-10-4-9-19(25-20)32-15-17-7-6-12-31-17/h4-5,8-11,16-17H,6-7,12-15H2,1-3H3,(H,26,28)
InChIKeyWKCOBZOKJRXOEF-UHFFFAOYSA-N
XLogP2.78
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 121253452) is N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCC3CCCO3)n2)C(C)(C)C1.
What is the InChIKey of N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is WKCOBZOKJRXOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5S/c1-16-13-23(2,3)27(14-16)21-18(8-5-11-24-21)22(28)26-33(29,30)20-10-4-9-19(25-20)32-15-17-7-6-12-31-17/h4-5,8-11,16-17H,6-7,12-15H2,1-3H3,(H,26,28).
What are the key properties of N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121253452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).