3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide

C21H18N4OS — CID 23889380

IUPAC3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCSc2nc(-c3ccccc3)ccc2C#N)n1
InChIInChI=1S/C21H18N4OS/c1-15-6-5-9-19(23-15)25-20(26)12-13-27-21-17(14-22)10-11-18(24-21)16-7-3-2-4-8-16/h2-11H,12-13H2,1H3,(H,23,25,26)
InChIKeyGOBPBQNXVXKMAX-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.44
Rot. Bonds6

About 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide

3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide (PubChem CID 23889380) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
PubChem CID23889380
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
SMILESCc1cccc(NC(=O)CCSc2nc(-c3ccccc3)ccc2C#N)n1
InChIInChI=1S/C21H18N4OS/c1-15-6-5-9-19(23-15)25-20(26)12-13-27-21-17(14-22)10-11-18(24-21)16-7-3-2-4-8-16/h2-11H,12-13H2,1H3,(H,23,25,26)
InChIKeyGOBPBQNXVXKMAX-UHFFFAOYSA-N
XLogP4.44
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-cyano-4-(4-methylphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23861563
N-(4-chlorophenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanamide
CID 23917223
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide
CID 23833065
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23833035
3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)propanamide
CID 23861496
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 25045521
3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-naphthalen-1-ylpropanamide
CID 23917274
3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 23917303
N-(6-methyl-2-pyridinyl)-3-phenylsulfanylpropanamide
CID 23804504
N-(4-acetamidophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23804302
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 46265776

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?
The IUPAC name of 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide (CID 23889380) is 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide is Cc1cccc(NC(=O)CCSc2nc(-c3ccccc3)ccc2C#N)n1.
What is the InChIKey of 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?
The InChIKey is GOBPBQNXVXKMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15-6-5-9-19(23-15)25-20(26)12-13-27-21-17(14-22)10-11-18(24-21)16-7-3-2-4-8-16/h2-11H,12-13H2,1H3,(H,23,25,26).
What are the key properties of 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide?
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide has a molecular weight of 374.47 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23889380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).