2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile

C19H16N4O2S — CID 2055802

IUPAC2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(S[C@H]2CCCCC2=O)c(C#N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H16N4O2S/c20-9-13-17(11-5-7-12(24)8-6-11)14(10-21)19(23-18(13)22)26-16-4-2-1-3-15(16)25/h5-8,16,24H,1-4H2,(H2,22,23)/t16-/m0/s1
InChIKeyQSKVKJBPWZNONT-INIZCTEOSA-N
MW364.43 g/mol
LogP3.38
Rot. Bonds3

About 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile

2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 2055802) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile
PubChem CID2055802
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(S[C@H]2CCCCC2=O)c(C#N)c1-c1ccc(O)cc1
InChIInChI=1S/C19H16N4O2S/c20-9-13-17(11-5-7-12(24)8-6-11)14(10-21)19(23-18(13)22)26-16-4-2-1-3-15(16)25/h5-8,16,24H,1-4H2,(H2,22,23)/t16-/m0/s1
InChIKeyQSKVKJBPWZNONT-INIZCTEOSA-N
XLogP3.38
TPSA123.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-6-[(1S)-2-oxocyclohexyl]sulfanyl-4-(4-propan-2-ylphenyl)pyridine-3,5-dicarbonitrile
CID 1282864
2-amino-4-(4-fluorophenyl)-6-(2-oxooxolan-3-yl)sulfanylpyridine-3,5-dicarbonitrile
CID 58740081
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
CID 679342
2-amino-6-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanyl-4-phenylpyridine-3,5-dicarbonitrile
CID 1230355
2-amino-6-(2-oxooxolan-3-yl)sulfanyl-4-(4-prop-2-enoxyphenyl)pyridine-3,5-dicarbonitrile
CID 58739394
2-amino-6-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 1022419
(6S)-6-methyl-3-[(1S)-2-oxocyclohexyl]sulfanyl-1-phenyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 97183661
methyl 2-[[6-amino-3,5-dicyano-4-(4-hydroxyphenyl)-2-pyridinyl]sulfanyl]-2-phenylacetate
CID 135980955
2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)sulfanyl]-N-cyclohexylacetamide
CID 125117782
2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 136642954
2-amino-4-(4-chlorophenyl)-6-(2-hydroxyphenyl)sulfanylpyridine-3,5-dicarbonitrile
CID 24796393
2-(2-oxocyclohexyl)sulfanyl-6-thiophen-2-yl-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 2942865

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile (CID 2055802) is 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(S[C@H]2CCCCC2=O)c(C#N)c1-c1ccc(O)cc1.
What is the InChIKey of 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is QSKVKJBPWZNONT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16N4O2S/c20-9-13-17(11-5-7-12(24)8-6-11)14(10-21)19(23-18(13)22)26-16-4-2-1-3-15(16)25/h5-8,16,24H,1-4H2,(H2,22,23)/t16-/m0/s1.
What are the key properties of 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 364.43 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxyphenyl)-6-[(1S)-2-oxocyclohexyl]sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2055802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).