3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide

C35H29N3O3S — CID 23746094

IUPAC3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3)nc(SCCC(=O)N(c3ccccc3)c3ccccc3)c2C#N)c1
InChIInChI=1S/C35H29N3O3S/c1-40-28-18-19-33(41-2)30(22-28)29-23-32(25-12-6-3-7-13-25)37-35(31(29)24-36)42-21-20-34(39)38(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-19,22-23H,20-21H2,1-2H3
InChIKeyWOCALZKBPPKMOM-UHFFFAOYSA-N
MW571.70 g/mol
LogP8.15
Rot. Bonds10

About 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide

3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide (PubChem CID 23746094) has the molecular formula C35H29N3O3S and a molecular weight of 571.70 g/mol. Its IUPAC name is 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide.

Molecular Properties

Compound Name3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide
PubChem CID23746094
Molecular FormulaC35H29N3O3S
Molecular Weight571.70 g/mol
Exact Mass571.19
IUPAC Name3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide
SMILESCOc1ccc(OC)c(-c2cc(-c3ccccc3)nc(SCCC(=O)N(c3ccccc3)c3ccccc3)c2C#N)c1
InChIInChI=1S/C35H29N3O3S/c1-40-28-18-19-33(41-2)30(22-28)29-23-32(25-12-6-3-7-13-25)37-35(31(29)24-36)42-21-20-34(39)38(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-19,22-23H,20-21H2,1-2H3
InChIKeyWOCALZKBPPKMOM-UHFFFAOYSA-N
XLogP8.15
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.70
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide with MolForge

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Related Compounds

N-(2-chlorophenyl)-3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 23973220
N-(5-chloro-2,4-dimethoxyphenyl)-3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 23861471
4-(2,5-dimethoxyphenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-6-phenylpyridine-3-carbonitrile
CID 87047537
2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-2-phenylacetic acid
CID 53270237
3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanoic acid
CID 53270216
2-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-[5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 87047910
N-(5-chloro-2,4-dimethoxyphenyl)-3-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]propanamide
CID 23917269
2-[[3-cyano-6-(4-methylphenyl)-4-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylacetamide
CID 3165371
3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2,5-dimethoxyphenyl)propanamide
CID 23746053
4-(2-methoxyphenyl)-2-(2-oxo-3-phenylpropyl)sulfanyl-6-phenylpyridine-3-carbonitrile
CID 158600689
3-[[3-cyano-4-(2,3-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N-(4-ethoxyphenyl)propanamide
CID 23804287
3-[[3-cyano-6-(4-methoxyphenyl)-4-(4-methylphenyl)-2-pyridinyl]sulfanyl]-N-(2-methoxyphenyl)propanamide
CID 23917283

Frequently Asked Questions

What is the IUPAC name of 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide?
The IUPAC name of 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide (CID 23746094) is 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide.
What is the SMILES notation for 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide?
The canonical SMILES for 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide is COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(SCCC(=O)N(c3ccccc3)c3ccccc3)c2C#N)c1.
What is the InChIKey of 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide?
The InChIKey is WOCALZKBPPKMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H29N3O3S/c1-40-28-18-19-33(41-2)30(22-28)29-23-32(25-12-6-3-7-13-25)37-35(31(29)24-36)42-21-20-34(39)38(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-19,22-23H,20-21H2,1-2H3.
What are the key properties of 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide?
3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide has a molecular weight of 571.70 g/mol, XLogP of 8.15, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-cyano-4-(2,5-dimethoxyphenyl)-6-phenyl-2-pyridinyl]sulfanyl]-N,N-diphenylpropanamide is sourced from PubChem (CID 23746094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).