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

C23H30N4O4S — CID 153427479

IUPAC4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(OC4CCCC4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C23H30N4O4S/c1-15-13-23(2,3)27(14-15)22-20(21(24)28)17(11-12-25-22)32(29,30)19-10-6-9-18(26-19)31-16-7-4-5-8-16/h6,9-12,15-16H,4-5,7-8,13-14H2,1-3H3,(H2,24,28)
InChIKeyZPYVDHYQPVXGFK-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.35
Rot. Bonds6

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

4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 153427479) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is 4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID153427479
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC Name4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CN(c2nccc(S(=O)(=O)c3cccc(OC4CCCC4)n3)c2C(N)=O)C(C)(C)C1
InChIInChI=1S/C23H30N4O4S/c1-15-13-23(2,3)27(14-15)22-20(21(24)28)17(11-12-25-22)32(29,30)19-10-6-9-18(26-19)31-16-7-4-5-8-16/h6,9-12,15-16H,4-5,7-8,13-14H2,1-3H3,(H2,24,28)
InChIKeyZPYVDHYQPVXGFK-UHFFFAOYSA-N
XLogP3.35
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[6-(4-propan-2-ylcyclohexyl)oxy-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427314
4-[[6-(3-chlorophenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427244
4-[[6-(3-methylpyrrolidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427325
4-[[6-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427310
4-[[6-(oxolan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427511
4-[[6-(4-ethoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427196
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
4-[[6-(furan-2-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427465
4-[[6-[4-(trifluoromethyl)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427356
4-[[6-[(2-chlorophenyl)methyl-methylamino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427570
4-[[6-[(1-methylindol-5-yl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 153427217
4-[(6-amino-2-pyridinyl)sulfonyl]-6-(2-bicyclo[2.2.1]heptanyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
CID 139451031

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of 4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 153427479) is 4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CN(c2nccc(S(=O)(=O)c3cccc(OC4CCCC4)n3)c2C(N)=O)C(C)(C)C1.
What is the InChIKey of 4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZPYVDHYQPVXGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-15-13-23(2,3)27(14-15)22-20(21(24)28)17(11-12-25-22)32(29,30)19-10-6-9-18(26-19)31-16-7-4-5-8-16/h6,9-12,15-16H,4-5,7-8,13-14H2,1-3H3,(H2,24,28).
What are the key properties of 4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopentyloxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153427479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).