1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide

C23H26FN5O5S — CID 68556224

IUPAC1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide
SMILESCCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Nc3ccc(F)cc3)CC2)nc1OC
InChIInChI=1S/C23H26FN5O5S/c1-3-4-20(30)19-13-16(14-25)21(26-23(19)34-2)29-11-9-15(10-12-29)22(31)28-35(32,33)27-18-7-5-17(24)6-8-18/h5-8,13,15,27H,3-4,9-12H2,1-2H3,(H,28,31)
InChIKeyWAPGFWMBWYMPOI-UHFFFAOYSA-N
MW503.56 g/mol
LogP2.77
Rot. Bonds9

About 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide

1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide (PubChem CID 68556224) has the molecular formula C23H26FN5O5S and a molecular weight of 503.56 g/mol. Its IUPAC name is 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide
PubChem CID68556224
Molecular FormulaC23H26FN5O5S
Molecular Weight503.56 g/mol
Exact Mass503.16
IUPAC Name1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide
SMILESCCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Nc3ccc(F)cc3)CC2)nc1OC
InChIInChI=1S/C23H26FN5O5S/c1-3-4-20(30)19-13-16(14-25)21(26-23(19)34-2)29-11-9-15(10-12-29)22(31)28-35(32,33)27-18-7-5-17(24)6-8-18/h5-8,13,15,27H,3-4,9-12H2,1-2H3,(H,28,31)
InChIKeyWAPGFWMBWYMPOI-UHFFFAOYSA-N
XLogP2.77
TPSA141.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.56
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide
CID 68558054
5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 141166071
1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-2-tert-butylpiperidine-4-carboxylic acid
CID 69269928
ethyl 6-[4-[(2-chlorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-methoxypyridine-3-carboxylate;ethyl 5-cyano-6-[4-[(3-fluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methoxypyridine-3-carboxylate
CID 162148371
1-[5-butanoyl-3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]-N-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 68946535
2,2,2-trifluoroethyl 5-cyano-6-[4-[(4-fluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 24968182
ethyl 5-cyano-6-[4-[(2,4-difluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylate
CID 24997697
1-[3-cyano-5-(cyclopropanecarbonyl)-6-[(2-oxopyrrolidin-1-yl)methyl]-2-pyridinyl]-N-[(4-fluorophenyl)-methylsulfamoyl]piperidine-4-carboxamide
CID 25204012
ethyl 6-[3-(benzenesulfonylcarbamoyl)azetidin-1-yl]-5-cyano-2-methoxypyridine-3-carboxylate
CID 25164223
ethyl 5-cyano-2-(fluoromethyl)-6-[4-[(4-fluorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate;2-(fluoromethyl)pyridine-3-carboxylic acid
CID 68874236
ethyl 6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 86618307
1-[3-cyano-6-[(2-oxopyrrolidin-1-yl)methyl]-5-pentanoyl-2-pyridinyl]-N-(1-phenylethylsulfonyl)piperidine-4-carboxamide
CID 25204496

Frequently Asked Questions

What is the IUPAC name of 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide (CID 68556224) is 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide is CCCC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Nc3ccc(F)cc3)CC2)nc1OC.
What is the InChIKey of 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide?
The InChIKey is WAPGFWMBWYMPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O5S/c1-3-4-20(30)19-13-16(14-25)21(26-23(19)34-2)29-11-9-15(10-12-29)22(31)28-35(32,33)27-18-7-5-17(24)6-8-18/h5-8,13,15,27H,3-4,9-12H2,1-2H3,(H,28,31).
What are the key properties of 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide?
1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide has a molecular weight of 503.56 g/mol, XLogP of 2.77, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide is sourced from PubChem (CID 68556224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).