2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile

C23H15N5O2S — CID 1230355

IUPAC2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)c(C#N)c1-c1ccccc1
InChIInChI=1S/C23H15N5O2S/c24-12-16-20(14-7-3-1-4-8-14)17(13-25)22(27-21(16)26)31-18-11-19(29)28(23(18)30)15-9-5-2-6-10-15/h1-10,18H,11H2,(H2,26,27)/t18-/m1/s1
InChIKeyVCCZGEJFPUCZAZ-GOSISDBHSA-N
MW425.47 g/mol
LogP3.50
Rot. Bonds4

About 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 1230355) has the molecular formula C23H15N5O2S and a molecular weight of 425.47 g/mol. Its IUPAC name is 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID1230355
Molecular FormulaC23H15N5O2S
Molecular Weight425.47 g/mol
Exact Mass425.09
IUPAC Name2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)c(C#N)c1-c1ccccc1
InChIInChI=1S/C23H15N5O2S/c24-12-16-20(14-7-3-1-4-8-14)17(13-25)22(27-21(16)26)31-18-11-19(29)28(23(18)30)15-9-5-2-6-10-15/h1-10,18H,11H2,(H2,26,27)/t18-/m1/s1
InChIKeyVCCZGEJFPUCZAZ-GOSISDBHSA-N
XLogP3.50
TPSA123.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
CID 23916833
2-amino-6-[1-(1H-indol-6-yl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 19058492
2-amino-6-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 1022419
[2-(2-methoxyphenyl)-2-oxoethyl] 4-[3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21171897
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-6-phenylpyridine-3-carbonitrile
CID 6737903
2-amino-6-[(3R)-1-[4-(1,3-benzoxazol-2-yl)phenyl]-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-cyclopropylpyridine-3,5-dicarbonitrile
CID 99129698
phenacyl 4-[3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21170808
2-amino-6-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-propan-2-ylpyridine-3,5-dicarbonitrile
CID 98749122
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[3-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21172626
[2-(3,4-dichlorophenyl)-2-oxoethyl] 4-[3-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 21173019
2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 1230572
2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 18893841

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile (CID 1230355) is 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is VCCZGEJFPUCZAZ-GOSISDBHSA-N. The full InChI is InChI=1S/C23H15N5O2S/c24-12-16-20(14-7-3-1-4-8-14)17(13-25)22(27-21(16)26)31-18-11-19(29)28(23(18)30)15-9-5-2-6-10-15/h1-10,18H,11H2,(H2,26,27)/t18-/m1/s1.
What are the key properties of 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 425.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 1230355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).