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

C16H13ClN4O2S — CID 58739870

IUPAC2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCC(O)CO)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O2S/c17-10-3-1-9(2-4-10)14-12(5-18)15(20)21-16(13(14)6-19)24-8-11(23)7-22/h1-4,11,22-23H,7-8H2,(H2,20,21)
InChIKeyVHTPQRXHZFCYOM-UHFFFAOYSA-N
MW360.83 g/mol
LogP2.17
Rot. Bonds5

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

2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile (PubChem CID 58739870) has the molecular formula C16H13ClN4O2S and a molecular weight of 360.83 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
PubChem CID58739870
Molecular FormulaC16H13ClN4O2S
Molecular Weight360.83 g/mol
Exact Mass360.04
IUPAC Name2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCC(O)CO)c(C#N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H13ClN4O2S/c17-10-3-1-9(2-4-10)14-12(5-18)15(20)21-16(13(14)6-19)24-8-11(23)7-22/h1-4,11,22-23H,7-8H2,(H2,20,21)
InChIKeyVHTPQRXHZFCYOM-UHFFFAOYSA-N
XLogP2.17
TPSA126.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-Amino-4-(4-chlorophenyl)-6-(methylthio)pyridine-3,5-dicarbonitrile
CID 661167
2-Amino-4-(2-chlorophenyl)-6-(ethylthio)pyridine-3,5-dicarbonitrile
CID 659287
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-trifluoromethyl-phenyl)-pyridine-3,5-dicarbonitrile
CID 11268516
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-p-tolyl-pyridine-3,5-dicarbonitrile
CID 11301348
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
CID 11369938
2-Amino-4-(4-fluoro-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11392863
Ethyl 4-((6-amino-4-(4-chlorophenyl)-3,5-dicyanopyridin-2-yl)thio)-3-oxobutanoate
CID 658286
2-Amino-4-(2-chlorophenyl)-6-(methylsulfanyl)pyridine-3,5-dicarbonitrile
CID 659242
2-Amino-4-(3-fluoro-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11186097
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-m-tolyl-pyridine-3,5-dicarbonitrile
CID 11449747
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-trifluoromethyl-phenyl)-pyridine-3,5-dicarbonitrile
CID 11462655
2-Amino-4-(2-chlorophenyl)-6-(2-(diethylamino)ethylthio)pyridine-3,5-dicarbonitrile
CID 16100255

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile (CID 58739870) is 2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCC(O)CO)c(C#N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile?
The InChIKey is VHTPQRXHZFCYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O2S/c17-10-3-1-9(2-4-10)14-12(5-18)15(20)21-16(13(14)6-19)24-8-11(23)7-22/h1-4,11,22-23H,7-8H2,(H2,20,21).
What are the key properties of 2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile?
2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile has a molecular weight of 360.83 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-6-(2,3-dihydroxypropylsulfanyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 58739870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).