2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide

C21H14FN5OS — CID 1002275

IUPAC2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESN#Cc1c(N)nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H14FN5OS/c22-14-6-8-15(9-7-14)26-18(28)12-29-21-17(11-24)19(13-4-2-1-3-5-13)16(10-23)20(25)27-21/h1-9H,12H2,(H2,25,27)(H,26,28)
InChIKeyWFNBFDWBSLQORL-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.94
Rot. Bonds5

About 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide

2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide (PubChem CID 1002275) has the molecular formula C21H14FN5OS and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide
PubChem CID1002275
Molecular FormulaC21H14FN5OS
Molecular Weight403.44 g/mol
Exact Mass403.09
IUPAC Name2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide
SMILESN#Cc1c(N)nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c1-c1ccccc1
InChIInChI=1S/C21H14FN5OS/c22-14-6-8-15(9-7-14)26-18(28)12-29-21-17(11-24)19(13-4-2-1-3-5-13)16(10-23)20(25)27-21/h1-9H,12H2,(H2,25,27)(H,26,28)
InChIKeyWFNBFDWBSLQORL-UHFFFAOYSA-N
XLogP3.94
TPSA115.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-((3-Cyano-6-(4-methylphenyl)-4-(trifluoromethyl)-2-pyridinyl)sulfanyl)-N-phenylacetamide
CID 3288231
2-Amino-4-(4-fluoro-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11392863
2-[[4-(4-Acetamidophenyl)-6-amino-3,5-dicyano-2-pyridinyl]sulfanyl]acetamide
CID 21893339
N-[3-[[6-amino-3,5-dicyano-4-(4-fluorophenyl)-2-pyridinyl]sulfanylmethyl]phenyl]methanesulfonamide
CID 68605180
N-[3-[[6-amino-3,5-dicyano-4-(3,4-difluorophenyl)-2-pyridinyl]sulfanylmethyl]phenyl]methanesulfonamide
CID 68606147
3-[(6-Amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanylmethyl]benzamide
CID 68615669
2-((3-Cyano-6-(4-F-PH)-4-(trifluoromethyl)-2-pyridinyl)thio)-N-phenylacetamide
CID 3854561
2-[(6-amino-3,5-dicyano-4-thiophen-2-yl-2-pyridinyl)thio]-N-(2-phenylethyl)acetamide
CID 660699
2-[(6-amino-3,5-dicyano-2-pyridinyl)thio]-N-(2-methylphenyl)acetamide
CID 678367
6-Amino-4-phenyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
CID 2057307
2-Amino-4-(4-isopropylphenyl)-6-{[2-oxo-2-(1-piperidinyl)ethyl]thio}-3,5-pyridinedicarbonitrile
CID 2197541
2-[(6-tert-butyl-3-cyano-4-phenylpyridin-2-yl)sulfanyl]-N-phenylpropanamide
CID 3166940

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide (CID 1002275) is 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide is N#Cc1c(N)nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c1-c1ccccc1.
What is the InChIKey of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide?
The InChIKey is WFNBFDWBSLQORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5OS/c22-14-6-8-15(9-7-14)26-18(28)12-29-21-17(11-24)19(13-4-2-1-3-5-13)16(10-23)20(25)27-21/h1-9H,12H2,(H2,25,27)(H,26,28).
What are the key properties of 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide?
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide has a molecular weight of 403.44 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1002275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).