[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate

C25H26N4O4S — CID 42120239

IUPAC[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SMILESCSc1nc(C2CC2)cc(C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1C#N
InChIInChI=1S/C25H26N4O4S/c1-34-24-20(14-26)19(13-21(28-24)16-7-8-16)25(32)33-15-22(30)29-11-9-17(10-12-29)23(31)27-18-5-3-2-4-6-18/h2-6,13,16-17H,7-12,15H2,1H3,(H,27,31)
InChIKeyKQPFCSURYHZBMV-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.59
Rot. Bonds7

About [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate

[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate (PubChem CID 42120239) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
PubChem CID42120239
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
SMILESCSc1nc(C2CC2)cc(C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1C#N
InChIInChI=1S/C25H26N4O4S/c1-34-24-20(14-26)19(13-21(28-24)16-7-8-16)25(32)33-15-22(30)29-11-9-17(10-12-29)23(31)27-18-5-3-2-4-6-18/h2-6,13,16-17H,7-12,15H2,1H3,(H,27,31)
InChIKeyKQPFCSURYHZBMV-UHFFFAOYSA-N
XLogP3.59
TPSA112.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate with MolForge

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Related Compounds

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
CID 42120035
[1-oxo-1-(propylamino)propan-2-yl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate
CID 42894531
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 41472626
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 33136416
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 31803292
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] (Z)-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 47015829
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-phenylbutanoate
CID 55467847
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 4-[(2,6-dimethylmorpholin-4-yl)methyl]benzoate
CID 55994294
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55468490
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 2-(3-methylphenoxy)acetate
CID 42004675
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 55679796
3-cyano-6-cyclopropyl-2-methylsulfanyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyridine-4-carboxamide
CID 55967853

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate?
The IUPAC name of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate (CID 42120239) is [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate?
The canonical SMILES for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate is CSc1nc(C2CC2)cc(C(=O)OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1C#N.
What is the InChIKey of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate?
The InChIKey is KQPFCSURYHZBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-34-24-20(14-26)19(13-21(28-24)16-7-8-16)25(32)33-15-22(30)29-11-9-17(10-12-29)23(31)27-18-5-3-2-4-6-18/h2-6,13,16-17H,7-12,15H2,1H3,(H,27,31).
What are the key properties of [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate?
[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate has a molecular weight of 478.57 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl] 3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carboxylate is sourced from PubChem (CID 42120239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).