1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide

C21H24N4O3S — CID 31615415

IUPAC1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H24N4O3S/c1-15(17-4-6-19(7-5-17)29(2,27)28)24-21(26)18-9-11-25(12-10-18)20-8-3-16(13-22)14-23-20/h3-8,14-15,18H,9-12H2,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyXEYVFSDNTXBTOK-OAHLLOKOSA-N
MW412.52 g/mol
LogP2.45
Rot. Bonds5

About 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 31615415) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID31615415
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
SMILESC[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C21H24N4O3S/c1-15(17-4-6-19(7-5-17)29(2,27)28)24-21(26)18-9-11-25(12-10-18)20-8-3-16(13-22)14-23-20/h3-8,14-15,18H,9-12H2,1-2H3,(H,24,26)/t15-/m1/s1
InChIKeyXEYVFSDNTXBTOK-OAHLLOKOSA-N
XLogP2.45
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[1-(2-bromophenyl)ethyl]-1-(5-cyano-2-pyridinyl)piperidine-4-carboxamide
CID 16588287
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 16598548
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
N-[1-(4-cyanophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55582684
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
1-(5-cyano-2-pyridinyl)-N-[5-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 16588305
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
N-tert-butyl-1-(5-cyano-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890918
1-(benzenesulfonyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 26957904

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide (CID 31615415) is 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide is C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is XEYVFSDNTXBTOK-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15(17-4-6-19(7-5-17)29(2,27)28)24-21(26)18-9-11-25(12-10-18)20-8-3-16(13-22)14-23-20/h3-8,14-15,18H,9-12H2,1-2H3,(H,24,26)/t15-/m1/s1.
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 31615415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).