1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide

C21H24N4O2S — CID 155960481

IUPAC1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide
SMILESCCS(=O)(=NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H24N4O2S/c1-3-28(27,19-7-4-16(2)5-8-19)24-21(26)18-10-12-25(13-11-18)20-9-6-17(14-22)15-23-20/h4-9,15,18H,3,10-13H2,1-2H3
InChIKeyLHGZLXVLKKZEDR-UHFFFAOYSA-N
MW396.52 g/mol
LogP3.55
Rot. Bonds4

About 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide (PubChem CID 155960481) has the molecular formula C21H24N4O2S and a molecular weight of 396.52 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide
PubChem CID155960481
Molecular FormulaC21H24N4O2S
Molecular Weight396.52 g/mol
Exact Mass396.16
IUPAC Name1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide
SMILESCCS(=O)(=NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C)cc1
InChIInChI=1S/C21H24N4O2S/c1-3-28(27,19-7-4-16(2)5-8-19)24-21(26)18-10-12-25(13-11-18)20-9-6-17(14-22)15-23-20/h4-9,15,18H,3,10-13H2,1-2H3
InChIKeyLHGZLXVLKKZEDR-UHFFFAOYSA-N
XLogP3.55
TPSA86.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-(5-cyano-2-pyridinyl)-1-oxo-1,4-thiazinan-1-ylidene]-4-methylbenzenesulfonamide
CID 126807042
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperidine-4-carboxamide
CID 31615415
6-[4-(1-methylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645072
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
1-(5-cyano-2-pyridinyl)-N-[4-(propan-2-ylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 16598548
6-(4-propan-2-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 58431342
1-(5-cyano-2-pyridinyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 16588037

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide (CID 155960481) is 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide is CCS(=O)(=NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccc(C)cc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide?
The InChIKey is LHGZLXVLKKZEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2S/c1-3-28(27,19-7-4-16(2)5-8-19)24-21(26)18-10-12-25(13-11-18)20-9-6-17(14-22)15-23-20/h4-9,15,18H,3,10-13H2,1-2H3.
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide has a molecular weight of 396.52 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-[ethyl-(4-methylphenyl)-oxo-λ6-sulfanylidene]piperidine-4-carboxamide is sourced from PubChem (CID 155960481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).