5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile

C20H17N3O2 — CID 122531732

IUPAC5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile
SMILESCCc1c(-c2ccc(O)c(C#N)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H17N3O2/c1-2-16-17(13-5-8-18(25)14(9-13)10-21)11-23-20(22)19(16)12-3-6-15(24)7-4-12/h3-9,11,24-25H,2H2,1H3,(H2,22,23)
InChIKeyWYGBKDFNBQHHND-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.84
Rot. Bonds3

About 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile

5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile (PubChem CID 122531732) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile
PubChem CID122531732
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile
SMILESCCc1c(-c2ccc(O)c(C#N)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H17N3O2/c1-2-16-17(13-5-8-18(25)14(9-13)10-21)11-23-20(22)19(16)12-3-6-15(24)7-4-12/h3-9,11,24-25H,2H2,1H3,(H2,22,23)
InChIKeyWYGBKDFNBQHHND-UHFFFAOYSA-N
XLogP3.84
TPSA103.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[(4-Methylpyridin-2-yl)amino]methyl]naphthalen-2-ol
CID 890718
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
4,4'-(2-Aminopyridine-3,5-diyl)bis(2,6-difluorophenol)
CID 131953527
4-Methyl-2-[(4-methyl-pyridin-2-ylamino)-methyl]-phenol
CID 890374
N-(3-(6-Amino-5-(4-hydroxyphenyl)pyridin-3-yl)phenyl)acetamide
CID 126672795
4-[6-Amino-5-(4-hydroxy-3-methoxy-phenyl)-3-pyridyl]-2,6-dimethyl-phenol
CID 126673181
2-Amino-4-(4-hydroxy-phenyl)-6-phenyl-nicotinonitrile
CID 135949034
1-(4-Methyl-2-pyridyliminomethyl)-2-naphthol
CID 809927
5-[(E)-2-(4-hydroxy-2,6-dimethylphenyl)ethenyl]pyridine-3-carbonitrile
CID 44418524
4-(6-Amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol
CID 44532117
N'-hydroxy-3-[(E)-2-(4-hydroxy-3-pyridin-2-ylphenyl)ethenyl]benzenecarboximidamide
CID 155529262

Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile?
The IUPAC name of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile (CID 122531732) is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile.
What is the SMILES notation for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile?
The canonical SMILES for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile is CCc1c(-c2ccc(O)c(C#N)c2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile?
The InChIKey is WYGBKDFNBQHHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-16-17(13-5-8-18(25)14(9-13)10-21)11-23-20(22)19(16)12-3-6-15(24)7-4-12/h3-9,11,24-25H,2H2,1H3,(H2,22,23).
What are the key properties of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile?
5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile has a molecular weight of 331.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-2-hydroxybenzonitrile is sourced from PubChem (CID 122531732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).