tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate

C25H35N5O5S — CID 175514891

IUPACtert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NCCC(=O)OC(C)(C)C)n2)C1(C)C
InChIInChI=1S/C25H35N5O5S/c1-17-13-16-30(25(17,5)6)22-18(9-8-14-27-22)23(32)29-36(33,34)20-11-7-10-19(28-20)26-15-12-21(31)35-24(2,3)4/h7-11,14,17H,12-13,15-16H2,1-6H3,(H,26,28)(H,29,32)
InChIKeyAIPGJXYXHASKTD-UHFFFAOYSA-N
MW517.65 g/mol
LogP3.36
Rot. Bonds8

About tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate

tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate (PubChem CID 175514891) has the molecular formula C25H35N5O5S and a molecular weight of 517.65 g/mol. Its IUPAC name is tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate
PubChem CID175514891
Molecular FormulaC25H35N5O5S
Molecular Weight517.65 g/mol
Exact Mass517.24
IUPAC Nametert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate
SMILESCC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NCCC(=O)OC(C)(C)C)n2)C1(C)C
InChIInChI=1S/C25H35N5O5S/c1-17-13-16-30(25(17,5)6)22-18(9-8-14-27-22)23(32)29-36(33,34)20-11-7-10-19(28-20)26-15-12-21(31)35-24(2,3)4/h7-11,14,17H,12-13,15-16H2,1-6H3,(H,26,28)(H,29,32)
InChIKeyAIPGJXYXHASKTD-UHFFFAOYSA-N
XLogP3.36
TPSA130.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.65
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate with MolForge

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Related Compounds

N-[[6-(2-pyridin-2-ylethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515602
N-[[6-(quinolin-8-ylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515296
N-[[6-[(6-methoxy-2-pyridinyl)amino]-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515392
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-(1,3-benzodioxol-5-ylmethylamino)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514836
N-[[6-(cyclopropylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515394
N-[[6-(2-methylpentan-2-yloxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515461
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514810
N-[(6-cyclopent-3-en-1-yloxy-2-pyridinyl)sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514772
N-[[6-(4-fluoropiperidin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175515771
tert-butyl N-[4-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]butyl]carbamate
CID 121251608
N-[[6-(3-methylbutoxy)-2-pyridinyl]sulfonyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 175514887

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate?
The IUPAC name of tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate (CID 175514891) is tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate.
What is the SMILES notation for tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate?
The canonical SMILES for tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate is CC1CCN(c2ncccc2C(=O)NS(=O)(=O)c2cccc(NCCC(=O)OC(C)(C)C)n2)C1(C)C.
What is the InChIKey of tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate?
The InChIKey is AIPGJXYXHASKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O5S/c1-17-13-16-30(25(17,5)6)22-18(9-8-14-27-22)23(32)29-36(33,34)20-11-7-10-19(28-20)26-15-12-21(31)35-24(2,3)4/h7-11,14,17H,12-13,15-16H2,1-6H3,(H,26,28)(H,29,32).
What are the key properties of tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate?
tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate has a molecular weight of 517.65 g/mol, XLogP of 3.36, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]amino]propanoate is sourced from PubChem (CID 175514891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).