2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile

C19H17FN4O3S — CID 66844663

IUPAC2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCF)c(C#N)c1-c1ccc(O[C@H]2COC[C@@H]2O)cc1
InChIInChI=1S/C19H17FN4O3S/c20-5-6-28-19-14(8-22)17(13(7-21)18(23)24-19)11-1-3-12(4-2-11)27-16-10-26-9-15(16)25/h1-4,15-16,25H,5-6,9-10H2,(H2,23,24)/t15-,16-/m0/s1
InChIKeyXTUQZIWNWGAMKR-HOTGVXAUSA-N
MW400.44 g/mol
LogP2.27
Rot. Bonds6

About 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile

2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile (PubChem CID 66844663) has the molecular formula C19H17FN4O3S and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile
PubChem CID66844663
Molecular FormulaC19H17FN4O3S
Molecular Weight400.44 g/mol
Exact Mass400.10
IUPAC Name2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCF)c(C#N)c1-c1ccc(O[C@H]2COC[C@@H]2O)cc1
InChIInChI=1S/C19H17FN4O3S/c20-5-6-28-19-14(8-22)17(13(7-21)18(23)24-19)11-1-3-12(4-2-11)27-16-10-26-9-15(16)25/h1-4,15-16,25H,5-6,9-10H2,(H2,23,24)/t15-,16-/m0/s1
InChIKeyXTUQZIWNWGAMKR-HOTGVXAUSA-N
XLogP2.27
TPSA125.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-amino-6-(2-fluoroethylsulfanyl)-4-[4-(4-hydroxyoxolan-3-yl)oxyphenyl]pyridine-3,5-dicarbonitrile
CID 66844662
2-amino-6-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile
CID 66844407
2-amino-6-(2-cyanoethylsulfanyl)-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 169151815
6-amino-2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]-5-isocyanopyridine-3-carbonitrile
CID 58115926
2-amino-6-(2-hydroxyethylsulfanyl)-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 11255849
2-amino-6-ethylsulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
CID 12826099
2-amino-4-(4-bromophenyl)-6-(2-hydroxyethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 28622154
2-amino-4-[4-(2-methoxyethoxy)phenyl]-6-(2-methoxyethylsulfanyl)pyridine-3,5-dicarbonitrile;ethane
CID 169151765
2-[[6-amino-3,5-dicyano-4-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]sulfanyl]acetamide
CID 169433958
2-amino-6-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 24830466
2-amino-6-benzylsulfanyl-4-[4-(2-hydroxyethoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 176710171
2-amino-4-[4-[1-(difluoromethoxy)-2-fluoropentan-2-yl]oxyphenyl]-6-(oxetan-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile
CID 176710054

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile (CID 66844663) is 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCF)c(C#N)c1-c1ccc(O[C@H]2COC[C@@H]2O)cc1.
What is the InChIKey of 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is XTUQZIWNWGAMKR-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H17FN4O3S/c20-5-6-28-19-14(8-22)17(13(7-21)18(23)24-19)11-1-3-12(4-2-11)27-16-10-26-9-15(16)25/h1-4,15-16,25H,5-6,9-10H2,(H2,23,24)/t15-,16-/m0/s1.
What are the key properties of 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile?
2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 400.44 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-fluoroethylsulfanyl)-4-[4-[(3S,4S)-4-hydroxyoxolan-3-yl]oxyphenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 66844663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).