methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate

C26H29N5O5S — CID 176719605

IUPACmethyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)nc1
InChIInChI=1S/C26H29N5O5S/c1-17-14-26(2,3)31(16-17)23-21(8-6-12-27-23)24(32)30-37(34,35)22-9-5-7-20(29-22)13-19-11-10-18(15-28-19)25(33)36-4/h5-12,15,17H,13-14,16H2,1-4H3,(H,30,32)
InChIKeyZTMIIOSXRTYOCG-UHFFFAOYSA-N
MW523.62 g/mol
LogP2.99
Rot. Bonds7

About methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate

methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate (PubChem CID 176719605) has the molecular formula C26H29N5O5S and a molecular weight of 523.62 g/mol. Its IUPAC name is methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate
PubChem CID176719605
Molecular FormulaC26H29N5O5S
Molecular Weight523.62 g/mol
Exact Mass523.19
IUPAC Namemethyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Cc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)nc1
InChIInChI=1S/C26H29N5O5S/c1-17-14-26(2,3)31(16-17)23-21(8-6-12-27-23)24(32)30-37(34,35)22-9-5-7-20(29-22)13-19-11-10-18(15-28-19)25(33)36-4/h5-12,15,17H,13-14,16H2,1-4H3,(H,30,32)
InChIKeyZTMIIOSXRTYOCG-UHFFFAOYSA-N
XLogP2.99
TPSA131.45 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.62
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate with MolForge

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Related Compounds

N-[(6-ethoxy-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251904
N-[[6-[(6-methyl-2-pyridinyl)methoxy]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252682
N-[[6-(2-methoxy-N-methylanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121251710
N-[(6-pyrrolidin-1-yl-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252235
N-[[6-(oxolan-2-ylmethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253452
N-[[6-(3,5-dimethoxyphenoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253072
N-[[6-(2-cyclopentylethoxy)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121254179
N-[(6-anilino-2-pyridinyl)sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121252043
N-[[6-(2-methoxyanilino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253127
N-[[6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250599
N-[[6-(4-phenylpiperazin-1-yl)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121253360
N-[[6-(cyclooctylamino)-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
CID 121250677

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate (CID 176719605) is methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(Cc2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CC(C)CC3(C)C)n2)nc1.
What is the InChIKey of methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate?
The InChIKey is ZTMIIOSXRTYOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5S/c1-17-14-26(2,3)31(16-17)23-21(8-6-12-27-23)24(32)30-37(34,35)22-9-5-7-20(29-22)13-19-11-10-18(15-28-19)25(33)36-4/h5-12,15,17H,13-14,16H2,1-4H3,(H,30,32).
What are the key properties of methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate?
methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate has a molecular weight of 523.62 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[6-[[2-(2,2,4-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 176719605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).