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

C26H22ClN5OS — CID 58739468

IUPAC2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC(C(=O)N2CCCCC2)c2ccccc2)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN5OS/c27-19-11-9-17(10-12-19)22-20(15-28)24(30)31-25(21(22)16-29)34-23(18-7-3-1-4-8-18)26(33)32-13-5-2-6-14-32/h1,3-4,7-12,23H,2,5-6,13-14H2,(H2,30,31)
InChIKeyCMMCWQAZOGBIOV-UHFFFAOYSA-N
MW488.02 g/mol
LogP5.57
Rot. Bonds5

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

2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 58739468) has the molecular formula C26H22ClN5OS and a molecular weight of 488.02 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID58739468
Molecular FormulaC26H22ClN5OS
Molecular Weight488.02 g/mol
Exact Mass487.12
IUPAC Name2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC(C(=O)N2CCCCC2)c2ccccc2)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN5OS/c27-19-11-9-17(10-12-19)22-20(15-28)24(30)31-25(21(22)16-29)34-23(18-7-3-1-4-8-18)26(33)32-13-5-2-6-14-32/h1,3-4,7-12,23H,2,5-6,13-14H2,(H2,30,31)
InChIKeyCMMCWQAZOGBIOV-UHFFFAOYSA-N
XLogP5.57
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.02
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-amino-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 58739611
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
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
2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone
CID 43031631
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-benzyl-2-phenylacetamide
CID 58739847
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-amino-4-(4-chlorophenyl)-6-(2-hydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
CID 58739701
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 125117782
2-amino-6-[2-(3-bromophenyl)-2-oxoethyl]sulfanyl-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile
CID 58739776

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile (CID 58739468) is 2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SC(C(=O)N2CCCCC2)c2ccccc2)c(C#N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is CMMCWQAZOGBIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN5OS/c27-19-11-9-17(10-12-19)22-20(15-28)24(30)31-25(21(22)16-29)34-23(18-7-3-1-4-8-18)26(33)32-13-5-2-6-14-32/h1,3-4,7-12,23H,2,5-6,13-14H2,(H2,30,31).
What are the key properties of 2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 488.02 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-6-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 58739468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).