2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile

C23H25N5OS — CID 2197541

IUPAC2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
SMILESCC(C)c1ccc(-c2c(C#N)c(N)nc(SCC(=O)N3CCCCC3)c2C#N)cc1
InChIInChI=1S/C23H25N5OS/c1-15(2)16-6-8-17(9-7-16)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(29)28-10-4-3-5-11-28/h6-9,15H,3-5,10-11,14H2,1-2H3,(H2,26,27)
InChIKeyLKXRCCNLXMBJTG-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.30
Rot. Bonds5

About 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile

2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 2197541) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
PubChem CID2197541
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
SMILESCC(C)c1ccc(-c2c(C#N)c(N)nc(SCC(=O)N3CCCCC3)c2C#N)cc1
InChIInChI=1S/C23H25N5OS/c1-15(2)16-6-8-17(9-7-16)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(29)28-10-4-3-5-11-28/h6-9,15H,3-5,10-11,14H2,1-2H3,(H2,26,27)
InChIKeyLKXRCCNLXMBJTG-UHFFFAOYSA-N
XLogP4.30
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

(R)-2-((3,5-dicyano-6-(dimethylamino)-4-ethylpyridin-2-yl)thio)-2-phenylacetamide
CID 132233666
2-((6-(4-Aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl)thio)-2-phenylacetamide
CID 132233067
(Rac)-GSK-3484862
CID 132233424
2-Amino-N-(4-(((3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl)thio)methyl)benzyl)acetamide
CID 132233120
(2R)-2-{[6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl]sulfanyl}-2-phenylacetamide
CID 132233544
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-p-tolyl-pyridine-3,5-dicarbonitrile
CID 11301348
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-N-(2-phenylethyl)acetamide
CID 660699
2-Amino-6-(propylthio)-4-(p-tolyl)pyridine-3,5-dicarbonitrile
CID 660788
2-Amino-4-(4-methylphenyl)-6-(2-methylprop-2-enylsulfanyl)pyridine-3,5-dicarbonitrile
CID 892465
2-{[6-amino-3,5-dicyano-4-(2-thienyl)-2-pyridinyl]sulfanyl}-N,N-diethylacetamide
CID 1773311
6-Amino-4-phenyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
CID 2057307

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile (CID 2197541) is 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile is CC(C)c1ccc(-c2c(C#N)c(N)nc(SCC(=O)N3CCCCC3)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is LKXRCCNLXMBJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-15(2)16-6-8-17(9-7-16)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(29)28-10-4-3-5-11-28/h6-9,15H,3-5,10-11,14H2,1-2H3,(H2,26,27).
What are the key properties of 2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 419.55 g/mol, XLogP of 4.30, 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-2-piperidin-1-ylethyl)sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2197541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).