2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

C21H13N5O3S — CID 23916833

IUPAC2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC2CC(=O)N(c3ccccc3)C2=O)c(C#N)c1-c1ccco1
InChIInChI=1S/C21H13N5O3S/c22-10-13-18(15-7-4-8-29-15)14(11-23)20(25-19(13)24)30-16-9-17(27)26(21(16)28)12-5-2-1-3-6-12/h1-8,16H,9H2,(H2,24,25)
InChIKeyUINNMKMCKCWWMN-UHFFFAOYSA-N
MW415.43 g/mol
LogP3.09
Rot. Bonds4

About 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (PubChem CID 23916833) has the molecular formula C21H13N5O3S and a molecular weight of 415.43 g/mol. Its IUPAC name is 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
PubChem CID23916833
Molecular FormulaC21H13N5O3S
Molecular Weight415.43 g/mol
Exact Mass415.07
IUPAC Name2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SC2CC(=O)N(c3ccccc3)C2=O)c(C#N)c1-c1ccco1
InChIInChI=1S/C21H13N5O3S/c22-10-13-18(15-7-4-8-29-15)14(11-23)20(25-19(13)24)30-16-9-17(27)26(21(16)28)12-5-2-1-3-6-12/h1-8,16H,9H2,(H2,24,25)
InChIKeyUINNMKMCKCWWMN-UHFFFAOYSA-N
XLogP3.09
TPSA137.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 1230355
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-[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-amino-4-(furan-2-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 28621951
2-amino-6-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-propan-2-ylpyridine-3,5-dicarbonitrile
CID 98749122
2-amino-6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-4-thiophen-2-ylpyridine-3,5-dicarbonitrile
CID 18893841
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
[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
6-amino-3,5-dicyano-4-(furan-2-yl)pyridine-2-selenolate
CID 15326256
2-[(3R)-2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 1230373

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (CID 23916833) is 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SC2CC(=O)N(c3ccccc3)C2=O)c(C#N)c1-c1ccco1.
What is the InChIKey of 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is UINNMKMCKCWWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N5O3S/c22-10-13-18(15-7-4-8-29-15)14(11-23)20(25-19(13)24)30-16-9-17(27)26(21(16)28)12-5-2-1-3-6-12/h1-8,16H,9H2,(H2,24,25).
What are the key properties of 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 415.43 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 23916833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).