ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate

C23H26N4O5S — CID 24831204

IUPACethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N2CCC(S(=O)(=O)NC(=O)Cc3ccccc3)CC2)nc1C
InChIInChI=1S/C23H26N4O5S/c1-3-32-23(29)20-14-18(15-24)22(25-16(20)2)27-11-9-19(10-12-27)33(30,31)26-21(28)13-17-7-5-4-6-8-17/h4-8,14,19H,3,9-13H2,1-2H3,(H,26,28)
InChIKeySQLWOMSMNHTUHI-UHFFFAOYSA-N
MW470.55 g/mol
LogP2.10
Rot. Bonds7

About ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate

ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate (PubChem CID 24831204) has the molecular formula C23H26N4O5S and a molecular weight of 470.55 g/mol. Its IUPAC name is ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate
PubChem CID24831204
Molecular FormulaC23H26N4O5S
Molecular Weight470.55 g/mol
Exact Mass470.16
IUPAC Nameethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1cc(C#N)c(N2CCC(S(=O)(=O)NC(=O)Cc3ccccc3)CC2)nc1C
InChIInChI=1S/C23H26N4O5S/c1-3-32-23(29)20-14-18(15-24)22(25-16(20)2)27-11-9-19(10-12-27)33(30,31)26-21(28)13-17-7-5-4-6-8-17/h4-8,14,19H,3,9-13H2,1-2H3,(H,26,28)
InChIKeySQLWOMSMNHTUHI-UHFFFAOYSA-N
XLogP2.10
TPSA129.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 5-cyano-6-[4-[[2-(4-methoxy-3-methylphenyl)acetyl]sulfamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate;ethyl 5-cyano-2-methyl-6-[4-[(1-phenylcyclopropanecarbonyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 87608795
1-(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 68918085
ethyl 5-cyano-6-[4-[(3-cyanophenyl)sulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 68911874
CID 87817671
CID 87817671
ethyl 6-(3-aminoazetidin-1-yl)-5-cyano-2-methylpyridine-3-carboxylate
CID 68913702
2-[1-(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)piperidin-3-yl]acetic acid
CID 68913144
ethyl 6-[4-[(4-chlorophenyl)sulfonylcarbamoylamino]piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
CID 68913927
ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-(2-fluoroethyl)pyridine-3-carboxylate
CID 68846450
ethyl 6-[3-[(benzylcarbamoylamino)methyl]azetidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
CID 24751015
ethyl 5-cyano-6-[3-[(2-methoxycarbonylphenyl)methylsulfonylcarbamoyl]azetidin-1-yl]-2-methylpyridine-3-carboxylate
CID 15982925
sodium [1-(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)piperidine-4-carbonyl]-[(4-cyanophenyl)methylsulfonyl]azanide
CID 140532918
ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 86618307

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate (CID 24831204) is ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate is CCOC(=O)c1cc(C#N)c(N2CCC(S(=O)(=O)NC(=O)Cc3ccccc3)CC2)nc1C.
What is the InChIKey of ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate?
The InChIKey is SQLWOMSMNHTUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-14-18(15-24)22(25-16(20)2)27-11-9-19(10-12-27)33(30,31)26-21(28)13-17-7-5-4-6-8-17/h4-8,14,19H,3,9-13H2,1-2H3,(H,26,28).
What are the key properties of ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate?
ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate has a molecular weight of 470.55 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate is sourced from PubChem (CID 24831204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).