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

C25H26F3N5O4S — CID 175514819

IUPACN-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCc3ccc(C(F)(F)F)nc3)n2)C1(C)C
InChIInChI=1S/C25H26F3N5O4S/c1-16-11-13-33(24(16,2)3)22-18(6-5-12-29-22)23(34)32-38(35,36)21-8-4-7-20(31-21)37-15-17-9-10-19(30-14-17)25(26,27)28/h4-10,12,14,16H,11,13,15H2,1-3H3,(H,32,34)
InChIKeyJFXZHMSWLDBVRO-UHFFFAOYSA-N
MW549.58 g/mol
LogP4.21
Rot. Bonds7

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

N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514819) has the molecular formula C25H26F3N5O4S and a molecular weight of 549.58 g/mol. Its IUPAC name is N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175514819
Molecular FormulaC25H26F3N5O4S
Molecular Weight549.58 g/mol
Exact Mass549.17
IUPAC NameN-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCc3ccc(C(F)(F)F)nc3)n2)C1(C)C
InChIInChI=1S/C25H26F3N5O4S/c1-16-11-13-33(24(16,2)3)22-18(6-5-12-29-22)23(34)32-38(35,36)21-8-4-7-20(31-21)37-15-17-9-10-19(30-14-17)25(26,27)28/h4-10,12,14,16H,11,13,15H2,1-3H3,(H,32,34)
InChIKeyJFXZHMSWLDBVRO-UHFFFAOYSA-N
XLogP4.21
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.58
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-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

Related Compounds

N-[[6-[(4-propan-2-ylphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514666
N-[[6-[(3-chlorophenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515434
N-[[6-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515042
N-[[6-(cyclopropylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515394
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514810
N-[[6-(2-methyl-2-pyrrol-1-ylpropoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515702
N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514887
N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515461
N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514772
N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514707
N-[[6-[(5-chloro-2-methoxyphenyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515369
N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515771

Frequently Asked Questions

What is the IUPAC name of N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514819) is N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(OCc3ccc(C(F)(F)F)nc3)n2)C1(C)C.
What is the InChIKey of N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is JFXZHMSWLDBVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O4S/c1-16-11-13-33(24(16,2)3)22-18(6-5-12-29-22)23(34)32-38(35,36)21-8-4-7-20(31-21)37-15-17-9-10-19(30-14-17)25(26,27)28/h4-10,12,14,16H,11,13,15H2,1-3H3,(H,32,34).
What are the key properties of N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 549.58 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).