2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide

C24H19FN6O2S — CID 55579149

IUPAC2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C(C)Sc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)n2)cc1F
InChIInChI=1S/C24H19FN6O2S/c1-13-8-9-15(11-19(13)25)21-30-23(33-31-21)14(2)34-24-16(12-26)10-18(20(27)29-24)22(32)28-17-6-4-3-5-7-17/h3-11,14H,1-2H3,(H2,27,29)(H,28,32)
InChIKeyHJAZADVYMXXBEZ-UHFFFAOYSA-N
MW474.52 g/mol
LogP5.14
Rot. Bonds6

About 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide

2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide (PubChem CID 55579149) has the molecular formula C24H19FN6O2S and a molecular weight of 474.52 g/mol. Its IUPAC name is 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
PubChem CID55579149
Molecular FormulaC24H19FN6O2S
Molecular Weight474.52 g/mol
Exact Mass474.13
IUPAC Name2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide
SMILESCc1ccc(-c2noc(C(C)Sc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)n2)cc1F
InChIInChI=1S/C24H19FN6O2S/c1-13-8-9-15(11-19(13)25)21-30-23(33-31-21)14(2)34-24-16(12-26)10-18(20(27)29-24)22(32)28-17-6-4-3-5-7-17/h3-11,14H,1-2H3,(H2,27,29)(H,28,32)
InChIKeyHJAZADVYMXXBEZ-UHFFFAOYSA-N
XLogP5.14
TPSA130.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.52
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide (CID 55579149) is 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide is Cc1ccc(-c2noc(C(C)Sc3nc(N)c(C(=O)Nc4ccccc4)cc3C#N)n2)cc1F.
What is the InChIKey of 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
The InChIKey is HJAZADVYMXXBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O2S/c1-13-8-9-15(11-19(13)25)21-30-23(33-31-21)14(2)34-24-16(12-26)10-18(20(27)29-24)22(32)28-17-6-4-3-5-7-17/h3-11,14H,1-2H3,(H2,27,29)(H,28,32).
What are the key properties of 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide?
2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide has a molecular weight of 474.52 g/mol, XLogP of 5.14, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-cyano-6-[1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylsulfanyl]-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 55579149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).