2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile

C19H11ClN4S — CID 2818994

IUPAC2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C19H11ClN4S/c20-13-6-8-14(9-7-13)25-19-16(11-22)17(12-4-2-1-3-5-12)15(10-21)18(23)24-19/h1-9H,(H2,23,24)
InChIKeyKUXOBBNEYDQQAR-UHFFFAOYSA-N
MW362.85 g/mol
LogP4.88
Rot. Bonds3

About 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile

2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 2818994) has the molecular formula C19H11ClN4S and a molecular weight of 362.85 g/mol. Its IUPAC name is 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID2818994
Molecular FormulaC19H11ClN4S
Molecular Weight362.85 g/mol
Exact Mass362.04
IUPAC Name2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C19H11ClN4S/c20-13-6-8-14(9-7-13)25-19-16(11-22)17(12-4-2-1-3-5-12)15(10-21)18(23)24-19/h1-9H,(H2,23,24)
InChIKeyKUXOBBNEYDQQAR-UHFFFAOYSA-N
XLogP4.88
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.85
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile (CID 2818994) is 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is KUXOBBNEYDQQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4S/c20-13-6-8-14(9-7-13)25-19-16(11-22)17(12-4-2-1-3-5-12)15(10-21)18(23)24-19/h1-9H,(H2,23,24).
What are the key properties of 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile?
2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 362.85 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-chlorophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2818994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).