2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile

C20H12N4OS — CID 154585292

IUPAC2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1C(=O)c1ccccc1
InChIInChI=1S/C20H12N4OS/c21-11-15-17(18(25)13-7-3-1-4-8-13)16(12-22)20(24-19(15)23)26-14-9-5-2-6-10-14/h1-10H,(H2,23,24)
InChIKeyHIBDYJHLKYFUCF-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.79
Rot. Bonds4

About 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile

2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 154585292) has the molecular formula C20H12N4OS and a molecular weight of 356.41 g/mol. Its IUPAC name is 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID154585292
Molecular FormulaC20H12N4OS
Molecular Weight356.41 g/mol
Exact Mass356.07
IUPAC Name2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1C(=O)c1ccccc1
InChIInChI=1S/C20H12N4OS/c21-11-15-17(18(25)13-7-3-1-4-8-13)16(12-22)20(24-19(15)23)26-14-9-5-2-6-10-14/h1-10H,(H2,23,24)
InChIKeyHIBDYJHLKYFUCF-UHFFFAOYSA-N
XLogP3.79
TPSA103.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11615787
2-amino-4-(furan-2-yl)-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 28621951
2-amino-4-[3-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11361402
2-amino-4-[4-(difluoromethoxy)phenyl]-6-phenylsulfanylpyridine-3,5-dicarbonitrile
CID 11349923
bis(diphenylmethanone);phenylsulfanylbenzene
CID 159073316
methyl 4-[2-amino-6-(3-chlorophenyl)sulfanyl-3,5-dicyano-4-pyridinyl]benzoate
CID 11611503
2,4-diphenyl-6-phenylsulfanylpyrimidine-5-carbonitrile
CID 3816338
10-benzoylanthracene-9-carbonitrile
CID 71356838
2-amino-4-ethyl-6-phenacylsulfanylpyridine-3,5-dicarbonitrile
CID 780926
3,6-diamino-2-benzoyl-4-methylthieno[2,3-b]pyridine-5-carbonitrile
CID 3366201
methyl 3-[[6-amino-3,5-dicyano-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]sulfanyl]benzoate
CID 24796796
2-amino-4-(4-methylphenyl)-6-(4-methylphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 102234389

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile (CID 154585292) is 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2ccccc2)c(C#N)c1C(=O)c1ccccc1.
What is the InChIKey of 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is HIBDYJHLKYFUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N4OS/c21-11-15-17(18(25)13-7-3-1-4-8-13)16(12-22)20(24-19(15)23)26-14-9-5-2-6-10-14/h1-10H,(H2,23,24).
What are the key properties of 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 356.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-benzoyl-6-phenylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 154585292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).