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

C26H35N5O5S — CID 175515499

IUPACethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)CC1
InChIInChI=1S/C26H35N5O5S/c1-5-36-25(33)19-12-15-30(16-13-19)21-9-6-10-22(28-21)37(34,35)29-24(32)20-8-7-14-27-23(20)31-17-11-18(2)26(31,3)4/h6-10,14,18-19H,5,11-13,15-17H2,1-4H3,(H,29,32)
InChIKeyMRFGUTGQHOGTTC-UHFFFAOYSA-N
MW529.66 g/mol
LogP3.00
Rot. Bonds7

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

ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate (PubChem CID 175515499) has the molecular formula C26H35N5O5S and a molecular weight of 529.66 g/mol. Its IUPAC name is ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate
PubChem CID175515499
Molecular FormulaC26H35N5O5S
Molecular Weight529.66 g/mol
Exact Mass529.24
IUPAC Nameethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)CC1
InChIInChI=1S/C26H35N5O5S/c1-5-36-25(33)19-12-15-30(16-13-19)21-9-6-10-22(28-21)37(34,35)29-24(32)20-8-7-14-27-23(20)31-17-11-18(2)26(31,3)4/h6-10,14,18-19H,5,11-13,15-17H2,1-4H3,(H,29,32)
InChIKeyMRFGUTGQHOGTTC-UHFFFAOYSA-N
XLogP3.00
TPSA121.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.66
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate (CID 175515499) is ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cccc(S(=O)(=O)NC(=O)c3cccnc3N3CCC(C)C3(C)C)n2)CC1.
What is the InChIKey of ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate?
The InChIKey is MRFGUTGQHOGTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O5S/c1-5-36-25(33)19-12-15-30(16-13-19)21-9-6-10-22(28-21)37(34,35)29-24(32)20-8-7-14-27-23(20)31-17-11-18(2)26(31,3)4/h6-10,14,18-19H,5,11-13,15-17H2,1-4H3,(H,29,32).
What are the key properties of ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate?
ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate has a molecular weight of 529.66 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-[[2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carbonyl]sulfamoyl]-2-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 175515499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).