3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide

C21H15N5OS — CID 68615669

IUPAC3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide
SMILESN#Cc1c(N)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H15N5OS/c22-10-16-18(14-6-2-1-3-7-14)17(11-23)21(26-19(16)24)28-12-13-5-4-8-15(9-13)20(25)27/h1-9H,12H2,(H2,24,26)(H2,25,27)
InChIKeyCNCRFHGLUXOHFK-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.47
Rot. Bonds5

About 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide

3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide (PubChem CID 68615669) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide
PubChem CID68615669
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide
SMILESN#Cc1c(N)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H15N5OS/c22-10-16-18(14-6-2-1-3-7-14)17(11-23)21(26-19(16)24)28-12-13-5-4-8-15(9-13)20(25)27/h1-9H,12H2,(H2,24,26)(H2,25,27)
InChIKeyCNCRFHGLUXOHFK-UHFFFAOYSA-N
XLogP3.47
TPSA129.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide?
The IUPAC name of 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide (CID 68615669) is 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide?
The canonical SMILES for 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide is N#Cc1c(N)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide?
The InChIKey is CNCRFHGLUXOHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5OS/c22-10-16-18(14-6-2-1-3-7-14)17(11-23)21(26-19(16)24)28-12-13-5-4-8-15(9-13)20(25)27/h1-9H,12H2,(H2,24,26)(H2,25,27).
What are the key properties of 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide?
3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide has a molecular weight of 385.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 68615669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).