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

C25H27ClN4O4S — CID 175515434

IUPACN-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCc3cccc(Cl)c3)n2)C1(C)C
InChIInChI=1S/C25H27ClN4O4S/c1-17-12-14-30(25(17,2)3)23-20(9-6-13-27-23)24(31)29-35(32,33)22-11-5-10-21(28-22)34-16-18-7-4-8-19(26)15-18/h4-11,13,15,17H,12,14,16H2,1-3H3,(H,29,31)
InChIKeyYZSBXIGEIKVZDB-UHFFFAOYSA-N
MW515.04 g/mol
LogP4.45
Rot. Bonds7

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

N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515434) has the molecular formula C25H27ClN4O4S and a molecular weight of 515.04 g/mol. Its IUPAC name is N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515434
Molecular FormulaC25H27ClN4O4S
Molecular Weight515.04 g/mol
Exact Mass514.14
IUPAC NameN-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCc3cccc(Cl)c3)n2)C1(C)C
InChIInChI=1S/C25H27ClN4O4S/c1-17-12-14-30(25(17,2)3)23-20(9-6-13-27-23)24(31)29-35(32,33)22-11-5-10-21(28-22)34-16-18-7-4-8-19(26)15-18/h4-11,13,15,17H,12,14,16H2,1-3H3,(H,29,31)
InChIKeyYZSBXIGEIKVZDB-UHFFFAOYSA-N
XLogP4.45
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.04
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515434) is N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCc3cccc(Cl)c3)n2)C1(C)C.
What is the InChIKey of N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is YZSBXIGEIKVZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4S/c1-17-12-14-30(25(17,2)3)23-20(9-6-13-27-23)24(31)29-35(32,33)22-11-5-10-21(28-22)34-16-18-7-4-8-19(26)15-18/h4-11,13,15,17H,12,14,16H2,1-3H3,(H,29,31).
What are the key properties of N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 515.04 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).