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

C20H13ClN4OS — CID 2818996

IUPAC2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc(Sc3ccc(Cl)cc3)c2C#N)cc1
InChIInChI=1S/C20H13ClN4OS/c1-26-14-6-2-12(3-7-14)18-16(10-22)19(24)25-20(17(18)11-23)27-15-8-4-13(21)5-9-15/h2-9H,1H3,(H2,24,25)
InChIKeyMKNXICMRXZJQQV-UHFFFAOYSA-N
MW392.87 g/mol
LogP4.89
Rot. Bonds4

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

2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 2818996) has the molecular formula C20H13ClN4OS and a molecular weight of 392.87 g/mol. Its IUPAC name is 2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID2818996
Molecular FormulaC20H13ClN4OS
Molecular Weight392.87 g/mol
Exact Mass392.05
IUPAC Name2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc(Sc3ccc(Cl)cc3)c2C#N)cc1
InChIInChI=1S/C20H13ClN4OS/c1-26-14-6-2-12(3-7-14)18-16(10-22)19(24)25-20(17(18)11-23)27-15-8-4-13(21)5-9-15/h2-9H,1H3,(H2,24,25)
InChIKeyMKNXICMRXZJQQV-UHFFFAOYSA-N
XLogP4.89
TPSA95.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile (CID 2818996) is 2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile is COc1ccc(-c2c(C#N)c(N)nc(Sc3ccc(Cl)cc3)c2C#N)cc1.
What is the InChIKey of 2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is MKNXICMRXZJQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN4OS/c1-26-14-6-2-12(3-7-14)18-16(10-22)19(24)25-20(17(18)11-23)27-15-8-4-13(21)5-9-15/h2-9H,1H3,(H2,24,25).
What are the key properties of 2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 392.87 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(4-chlorophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2818996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).