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

C24H25ClN4O4S — CID 153427244

IUPAC4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(Oc4cccc(Cl)c4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C24H25ClN4O4S/c1-15-13-24(2,3)29(14-15)23-21(22(26)30)18(10-11-27-23)34(31,32)20-9-5-8-19(28-20)33-17-7-4-6-16(25)12-17/h4-12,15H,13-14H2,1-3H3,(H2,26,30)
InChIKeyVVXBUZIUIIFRJR-UHFFFAOYSA-N
MW501.01 g/mol
LogP4.48
Rot. Bonds6

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

4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427244) has the molecular formula C24H25ClN4O4S and a molecular weight of 501.01 g/mol. Its IUPAC name is 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID153427244
Molecular FormulaC24H25ClN4O4S
Molecular Weight501.01 g/mol
Exact Mass500.13
IUPAC Name4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(Oc4cccc(Cl)c4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C24H25ClN4O4S/c1-15-13-24(2,3)29(14-15)23-21(22(26)30)18(10-11-27-23)34(31,32)20-9-5-8-19(28-20)33-17-7-4-6-16(25)12-17/h4-12,15H,13-14H2,1-3H3,(H2,26,30)
InChIKeyVVXBUZIUIIFRJR-UHFFFAOYSA-N
XLogP4.48
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.01
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-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

4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427479
4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427314
4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427570
4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427310
4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427217
N-[[6-[(5-chloro-3-pyridinyl)oxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252018
N-[[6-(3-methylphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251383
4-[[6-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427608
N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253072
N-[[6-(cyclopenta-1,4-dien-1-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427230
4-[1-[(6-amino-2-pyridinyl)sulfonyl]-6-tert-butyl-1-(2-cyclohexylacetyl)-3,6-dihydro-2H-pyridin-1-ium-5-yl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 121252314
N-[[6-(3-ethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514707

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427244) is 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(Oc4cccc(Cl)c4)n3)c2C(N)=O)C(C)(C)C1.
What is the InChIKey of 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is VVXBUZIUIIFRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O4S/c1-15-13-24(2,3)29(14-15)23-21(22(26)30)18(10-11-27-23)34(31,32)20-9-5-8-19(28-20)33-17-7-4-6-16(25)12-17/h4-12,15H,13-14H2,1-3H3,(H2,26,30).
What are the key properties of 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 501.01 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).