2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile

C26H23N5OS — CID 58739611

IUPAC2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC(C(=O)N2CCCCC2)c2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C26H23N5OS/c27-16-20-22(18-10-4-1-5-11-18)21(17-28)25(30-24(20)29)33-23(19-12-6-2-7-13-19)26(32)31-14-8-3-9-15-31/h1-2,4-7,10-13,23H,3,8-9,14-15H2,(H2,29,30)
InChIKeyJQDNYLRVIXZPTQ-UHFFFAOYSA-N
MW453.57 g/mol
LogP4.92
Rot. Bonds5

About 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 58739611) has the molecular formula C26H23N5OS and a molecular weight of 453.57 g/mol. Its IUPAC name is 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID58739611
Molecular FormulaC26H23N5OS
Molecular Weight453.57 g/mol
Exact Mass453.16
IUPAC Name2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC(C(=O)N2CCCCC2)c2ccccc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C26H23N5OS/c27-16-20-22(18-10-4-1-5-11-18)21(17-28)25(30-24(20)29)33-23(19-12-6-2-7-13-19)26(32)31-14-8-3-9-15-31/h1-2,4-7,10-13,23H,3,8-9,14-15H2,(H2,29,30)
InChIKeyJQDNYLRVIXZPTQ-UHFFFAOYSA-N
XLogP4.92
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.57
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile
CID 58739468
2-amino-4-(2-nitrophenyl)-6-(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile
CID 58739664
2-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 58739814
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-benzyl-2-phenylacetamide
CID 58739847
methyl 2-[[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetate
CID 135980955
2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270249
4-amino-2-[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]sulfanylpyrimidine-5-carbonitrile
CID 40657796
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 125117782
2-amino-6-[1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-1-oxopropan-2-yl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
CID 23802541
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 1285620
benzyl 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]acetate
CID 1076770
2-amino-4-(4-nitrosophenyl)-6-(2-oxo-1-phenylethyl)sulfanylpyridine-3,5-dicarbonitrile
CID 142055117

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile (CID 58739611) is 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SC(C(=O)N2CCCCC2)c2ccccc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is JQDNYLRVIXZPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5OS/c27-16-20-22(18-10-4-1-5-11-18)21(17-28)25(30-24(20)29)33-23(19-12-6-2-7-13-19)26(32)31-14-8-3-9-15-31/h1-2,4-7,10-13,23H,3,8-9,14-15H2,(H2,29,30).
What are the key properties of 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 453.57 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 58739611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).