5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid

C20H21N5O5S — CID 141166071

IUPAC5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)NS(=O)(=O)Nc3ccccc3)CC2)c(C#N)cc1C(=O)O
InChIInChI=1S/C20H21N5O5S/c1-13-17(20(27)28)11-15(12-21)18(22-13)25-9-7-14(8-10-25)19(26)24-31(29,30)23-16-5-3-2-4-6-16/h2-6,11,14,23H,7-10H2,1H3,(H,24,26)(H,27,28)
InChIKeyMUNDEPXJIAWXEU-UHFFFAOYSA-N
MW443.49 g/mol
LogP1.65
Rot. Bonds6

About 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid

5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 141166071) has the molecular formula C20H21N5O5S and a molecular weight of 443.49 g/mol. Its IUPAC name is 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID141166071
Molecular FormulaC20H21N5O5S
Molecular Weight443.49 g/mol
Exact Mass443.13
IUPAC Name5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCc1nc(N2CCC(C(=O)NS(=O)(=O)Nc3ccccc3)CC2)c(C#N)cc1C(=O)O
InChIInChI=1S/C20H21N5O5S/c1-13-17(20(27)28)11-15(12-21)18(22-13)25-9-7-14(8-10-25)19(26)24-31(29,30)23-16-5-3-2-4-6-16/h2-6,11,14,23H,7-10H2,1H3,(H,24,26)(H,27,28)
InChIKeyMUNDEPXJIAWXEU-UHFFFAOYSA-N
XLogP1.65
TPSA152.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyano-2-methyl-6-[4-[[4-(trifluoromethoxy)phenyl]sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 69379324
6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-2,5-dicyanopyridine-3-carboxylic acid
CID 68847372
1-(5-butanoyl-3-cyano-6-methoxy-2-pyridinyl)-N-[(4-fluorophenyl)sulfamoyl]piperidine-4-carboxamide
CID 68556224
propan-2-yl 5-cyano-2-methyl-6-[4-[(4-methylphenyl)sulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 11684488
ethyl 5-cyano-6-[4-[(3-cyanophenyl)sulfonylcarbamoyl]piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 68911874
propan-2-yl 5-cyano-2-methyl-6-[4-[(4-methylphenyl)methylsulfonylcarbamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 69226457
6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-(ethylsulfanylmethyl)pyridine-3-carboxylic acid
CID 69169498
propan-2-yl 5-cyano-6-[4-(cyclopentylmethylsulfonylcarbamoyl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 69223012
1-(3-cyano-6-methyl-5-propan-2-yloxycarbonyl-2-pyridinyl)piperidine-4-carboxylic acid;propan-2-yl 6-[4-[(4-chlorophenyl)methylsulfonylcarbamoyl]piperidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate
CID 69299841
6-[4-(benzylsulfonylcarbamoyl)piperidin-1-yl]-5-cyano-2-[(2-oxopiperidin-1-yl)methyl]pyridine-3-carboxylic acid
CID 69168279
ethyl 5-cyano-2-methyl-6-[4-[(2-phenylacetyl)sulfamoyl]piperidin-1-yl]pyridine-3-carboxylate
CID 24831204
1-(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 68918085

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid (CID 141166071) is 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid is Cc1nc(N2CCC(C(=O)NS(=O)(=O)Nc3ccccc3)CC2)c(C#N)cc1C(=O)O.
What is the InChIKey of 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is MUNDEPXJIAWXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O5S/c1-13-17(20(27)28)11-15(12-21)18(22-13)25-9-7-14(8-10-25)19(26)24-31(29,30)23-16-5-3-2-4-6-16/h2-6,11,14,23H,7-10H2,1H3,(H,24,26)(H,27,28).
What are the key properties of 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid?
5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 443.49 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-6-[4-(phenylsulfamoylcarbamoyl)piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 141166071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).