3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide

C25H19N3OS — CID 23833065

IUPAC3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESN#Cc1ccc(-c2ccccc2)nc1SCCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H19N3OS/c26-17-21-11-13-23(19-7-2-1-3-8-19)28-25(21)30-15-14-24(29)27-22-12-10-18-6-4-5-9-20(18)16-22/h1-13,16H,14-15H2,(H,27,29)
InChIKeyRWPNFRGDGOZCPJ-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.89
Rot. Bonds6

About 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide

3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide (PubChem CID 23833065) has the molecular formula C25H19N3OS and a molecular weight of 409.51 g/mol. Its IUPAC name is 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide
PubChem CID23833065
Molecular FormulaC25H19N3OS
Molecular Weight409.51 g/mol
Exact Mass409.12
IUPAC Name3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide
SMILESN#Cc1ccc(-c2ccccc2)nc1SCCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C25H19N3OS/c26-17-21-11-13-23(19-7-2-1-3-8-19)28-25(21)30-15-14-24(29)27-22-12-10-18-6-4-5-9-20(18)16-22/h1-13,16H,14-15H2,(H,27,29)
InChIKeyRWPNFRGDGOZCPJ-UHFFFAOYSA-N
XLogP5.89
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(3,4-dichlorophenyl)propanamide
CID 23833035
N-(4-chlorophenyl)-3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanamide
CID 23917223
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(6-methyl-2-pyridinyl)propanamide
CID 23889380
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]propanoic acid
CID 19059695
3-[[3-cyano-6-(4-methoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-propan-2-ylphenyl)propanamide
CID 23889275
N-(4-bromophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23945159
N-(4-acetamidophenyl)-3-[[6-(4-chlorophenyl)-3-cyano-2-pyridinyl]sulfanyl]propanamide
CID 23804302
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-phenylacetamide
CID 5058447
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
2-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 1240644
ethyl 4-[3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]sulfanyl]propanoylamino]benzoate
CID 23833061

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The IUPAC name of 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide (CID 23833065) is 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide is N#Cc1ccc(-c2ccccc2)nc1SCCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide?
The InChIKey is RWPNFRGDGOZCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3OS/c26-17-21-11-13-23(19-7-2-1-3-8-19)28-25(21)30-15-14-24(29)27-22-12-10-18-6-4-5-9-20(18)16-22/h1-13,16H,14-15H2,(H,27,29).
What are the key properties of 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide?
3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide has a molecular weight of 409.51 g/mol, XLogP of 5.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-6-phenyl-2-pyridinyl)sulfanyl]-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 23833065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).