2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C20H14N4O3S — CID 169395284

IUPAC2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)cc1
InChIInChI=1S/C20H14N4O3S/c1-12-2-6-14(7-3-12)28(26,27)15-8-4-13(5-9-15)18-16(10-21)19(23)24-20(25)17(18)11-22/h2-9H,1H3,(H3,23,24,25)
InChIKeyJWPBCKKXVKAHBN-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.51
Rot. Bonds3

About 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169395284) has the molecular formula C20H14N4O3S and a molecular weight of 390.42 g/mol. Its IUPAC name is 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169395284
Molecular FormulaC20H14N4O3S
Molecular Weight390.42 g/mol
Exact Mass390.08
IUPAC Name2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1ccc(S(=O)(=O)c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)cc1
InChIInChI=1S/C20H14N4O3S/c1-12-2-6-14(7-3-12)28(26,27)15-8-4-13(5-9-15)18-16(10-21)19(23)24-20(25)17(18)11-22/h2-9H,1H3,(H3,23,24,25)
InChIKeyJWPBCKKXVKAHBN-UHFFFAOYSA-N
XLogP2.51
TPSA140.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[4-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393917
2-amino-6-oxo-4-(4-propan-2-ylphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393028
2-amino-4-[4-(methoxymethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394967
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)phenyl] 4-methylbenzoate
CID 169394787
2-amino-4-(4-tert-butylsulfanylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395684
2-amino-4-[4-(2-hydroxyethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394289
2-amino-4-[4-(3,4-dichlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395599
2-amino-4-[4-(diethylaminomethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393697
2-amino-6-oxo-4-(4-prop-2-ynoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393291
2-amino-4-[4-(3-methyloxetan-3-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395772
2-amino-6-oxo-4-[4-(pyrrolidine-1-carbonyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169395006
2-amino-6-oxo-4-[4-(propoxymethyl)phenyl]-1H-pyridine-3,5-dicarbonitrile
CID 169393597

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169395284) is 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is Cc1ccc(S(=O)(=O)c2ccc(-c3c(C#N)c(N)[nH]c(=O)c3C#N)cc2)cc1.
What is the InChIKey of 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is JWPBCKKXVKAHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3S/c1-12-2-6-14(7-3-12)28(26,27)15-8-4-13(5-9-15)18-16(10-21)19(23)24-20(25)17(18)11-22/h2-9H,1H3,(H3,23,24,25).
What are the key properties of 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 390.42 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-(4-methylphenyl)sulfonylphenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169395284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).