2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

C20H14N4OS — CID 398162

IUPAC2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESC1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N
InChIInChI=1S/C20H14N4OS/c21-10-16-18(14-6-8-15(25)9-7-14)17(11-22)20(24-19(16)23)26-12-13-4-2-1-3-5-13/h1-9,25H,12H2,(H2,23,24)
InChIKeyIFPNWUPLRFRCRO-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.10
Rot. Bonds4

About 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile

2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 398162) has the molecular formula C20H14N4OS and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID398162
Molecular FormulaC20H14N4OS
Molecular Weight358.40 g/mol
Exact Mass358.09
IUPAC Name2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESC1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N
InChIInChI=1S/C20H14N4OS/c21-10-16-18(14-6-8-15(25)9-7-14)17(11-22)20(24-19(16)23)26-12-13-4-2-1-3-5-13/h1-9,25H,12H2,(H2,23,24)
InChIKeyIFPNWUPLRFRCRO-UHFFFAOYSA-N
XLogP4.10
TPSA132.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity553

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Luf5831
CID 135494270
2-Amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile
CID 3130954
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-hydroxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11255409
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(4-methoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11255849
2-[[6-Amino-3,5-dicyano-4-(4-prop-2-enoxyphenyl)-2-pyridinyl]sulfanyl]acetamide
CID 58739995
2-Amino-4-(4-hydroxy-phenyl)-6-phenyl-nicotinonitrile
CID 135949034
[6-Amino-3,5-dicyano-4-(4-hydroxy-phenyl)-pyridin-2-ylsulfanyl]-acetic acid methyl ester
CID 1830648
Ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate
CID 659270
Butyl {[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanyl}acetate
CID 659299
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-trifluoromethoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11314995
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-(3-methoxy-phenyl)-pyridine-3,5-dicarbonitrile
CID 11359310
2-Amino-4-(3-difluoromethoxy-phenyl)-6-(2-hydroxy-ethylsulfanyl)-pyridine-3,5-dicarbonitrile
CID 11451298

Frequently Asked Questions

What is the IUPAC name of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile (CID 398162) is 2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile is C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N.
What is the InChIKey of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is IFPNWUPLRFRCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c21-10-16-18(14-6-8-15(25)9-7-14)17(11-22)20(24-19(16)23)26-12-13-4-2-1-3-5-13/h1-9,25H,12H2,(H2,23,24).
What are the key properties of 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 358.40 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Amino-6-(benzylthio)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 398162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).