2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile

C19H14N4O2S — CID 155554464

IUPAC2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2cccc(CO)c2)c(C#N)c1-c1ccco1
InChIInChI=1S/C19H14N4O2S/c20-8-14-17(16-5-2-6-25-16)15(9-21)19(23-18(14)22)26-11-13-4-1-3-12(7-13)10-24/h1-7,24H,10-11H2,(H2,22,23)
InChIKeyAWILPOCGXGKWER-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.45
Rot. Bonds5

About 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile

2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile (PubChem CID 155554464) has the molecular formula C19H14N4O2S and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
PubChem CID155554464
Molecular FormulaC19H14N4O2S
Molecular Weight362.41 g/mol
Exact Mass362.08
IUPAC Name2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCc2cccc(CO)c2)c(C#N)c1-c1ccco1
InChIInChI=1S/C19H14N4O2S/c20-8-14-17(16-5-2-6-25-16)15(9-21)19(23-18(14)22)26-11-13-4-1-3-12(7-13)10-24/h1-7,24H,10-11H2,(H2,22,23)
InChIKeyAWILPOCGXGKWER-UHFFFAOYSA-N
XLogP3.45
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile (CID 155554464) is 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCc2cccc(CO)c2)c(C#N)c1-c1ccco1.
What is the InChIKey of 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
The InChIKey is AWILPOCGXGKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2S/c20-8-14-17(16-5-2-6-25-16)15(9-21)19(23-18(14)22)26-11-13-4-1-3-12(7-13)10-24/h1-7,24H,10-11H2,(H2,22,23).
What are the key properties of 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile?
2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile has a molecular weight of 362.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-6-[[3-(hydroxymethyl)phenyl]methylsulfanyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 155554464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).