2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

C19H11ClN4O2S — CID 1067653

IUPAC2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccco1
InChIInChI=1S/C19H11ClN4O2S/c20-12-5-3-11(4-6-12)15(25)10-27-19-14(9-22)17(16-2-1-7-26-16)13(8-21)18(23)24-19/h1-7H,10H2,(H2,23,24)
InChIKeyNMMXISCONYJVAK-UHFFFAOYSA-N
MW394.84 g/mol
LogP4.30
Rot. Bonds5

About 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile

2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (PubChem CID 1067653) has the molecular formula C19H11ClN4O2S and a molecular weight of 394.84 g/mol. Its IUPAC name is 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
PubChem CID1067653
Molecular FormulaC19H11ClN4O2S
Molecular Weight394.84 g/mol
Exact Mass394.03
IUPAC Name2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccco1
InChIInChI=1S/C19H11ClN4O2S/c20-12-5-3-11(4-6-12)15(25)10-27-19-14(9-22)17(16-2-1-7-26-16)13(8-21)18(23)24-19/h1-7H,10H2,(H2,23,24)
InChIKeyNMMXISCONYJVAK-UHFFFAOYSA-N
XLogP4.30
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

Methyl 3-[[6-amino-3,5-dicyano-4-(furan-2-yl)-2-pyridinyl]sulfanylmethyl]benzoate
CID 139030524
2-Amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 155554464
2-Amino-4-(furan-2-yl)-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 571407
Methyl {[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl}acetate
CID 1898787
2-Amino-6-benzylsulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
CID 747881
2-((6-Amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl)thio)acetamide
CID 1899510
Benzyl {[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl}acetate
CID 658709
2-Amino-6-ethylsulfanyl-4-furan-2-yl-pyridine-3,5-dicarbonitrile
CID 745534
2-Amino-4-(furan-2-yl)-6-(2-oxocyclohexyl)sulfanylpyridine-3,5-dicarbonitrile
CID 2998839
(6-Amino-3,5-dicyano-4-furan-2-yl-pyridin-2-ylsulfanyl)-acetic acid propyl ester
CID 3129288
2-Amino-4-(furan-2-yl)-6-(pyridin-4-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 155511844
2-Amino-6-(cyanomethylsulfanyl)-4-(furan-2-yl)pyridine-3,5-dicarbonitrile
CID 155514153

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile (CID 1067653) is 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccco1.
What is the InChIKey of 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
The InChIKey is NMMXISCONYJVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4O2S/c20-12-5-3-11(4-6-12)15(25)10-27-19-14(9-22)17(16-2-1-7-26-16)13(8-21)18(23)24-19/h1-7H,10H2,(H2,23,24).
What are the key properties of 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile?
2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile has a molecular weight of 394.84 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 1067653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).