1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

C21H25N5O3S — CID 16598548

IUPAC1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C21H25N5O3S/c1-15(2)25-30(28,29)19-6-4-18(5-7-19)24-21(27)17-9-11-26(12-10-17)20-8-3-16(13-22)14-23-20/h3-8,14-15,17,25H,9-12H2,1-2H3,(H,24,27)
InChIKeyBYPYYBPVAXRICX-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.50
Rot. Bonds6

About 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 16598548) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
PubChem CID16598548
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
SMILESCC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C21H25N5O3S/c1-15(2)25-30(28,29)19-6-4-18(5-7-19)24-21(27)17-9-11-26(12-10-17)20-8-3-16(13-22)14-23-20/h3-8,14-15,17,25H,9-12H2,1-2H3,(H,24,27)
InChIKeyBYPYYBPVAXRICX-UHFFFAOYSA-N
XLogP2.50
TPSA115.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 46697284
1-(5-cyano-2-pyridinyl)-N-[3-(cyclopropylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 46699660
1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 31615415
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037
1-(5-cyano-2-pyridinyl)-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 16588046
N-(3-bromophenyl)-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588035
1-(5-cyano-2-pyridinyl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 17438163
1-(5-cyano-2-pyridinyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17443908
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-(2-methoxypropyl)piperidine-4-carboxamide
CID 155951044
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide (CID 16598548) is 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is CC(C)NS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BYPYYBPVAXRICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-15(2)25-30(28,29)19-6-4-18(5-7-19)24-21(27)17-9-11-26(12-10-17)20-8-3-16(13-22)14-23-20/h3-8,14-15,17,25H,9-12H2,1-2H3,(H,24,27).
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 427.53 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 16598548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).