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

C20H17N3O — CID 122531745

IUPAC3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile
SMILESCCc1c(-c2cccc(C#N)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H17N3O/c1-2-17-18(15-5-3-4-13(10-15)11-21)12-23-20(22)19(17)14-6-8-16(24)9-7-14/h3-10,12,24H,2H2,1H3,(H2,22,23)
InChIKeyWLCPPGGJXAQWON-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.14
Rot. Bonds3

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

3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile (PubChem CID 122531745) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile
PubChem CID122531745
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile
SMILESCCc1c(-c2cccc(C#N)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H17N3O/c1-2-17-18(15-5-3-4-13(10-15)11-21)12-23-20(22)19(17)14-6-8-16(24)9-7-14/h3-10,12,24H,2H2,1H3,(H2,22,23)
InChIKeyWLCPPGGJXAQWON-UHFFFAOYSA-N
XLogP4.14
TPSA82.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
4-{6-Amino-5-[4-(Methylsulfonyl)phenyl]pyridin-3-Yl}phenol
CID 105539853
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
4-[5-(4-Hydroxyphenyl)-3-pyridinyl]phenol
CID 10422855
N-(3-(6-Amino-5-(4-hydroxyphenyl)pyridin-3-yl)phenyl)acetamide
CID 126672795
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
3-(1-Aminoisoquinolin-7-yl)phenol
CID 44530518
4-(6-Amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol
CID 44532117

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile (CID 122531745) is 3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile is CCc1c(-c2cccc(C#N)c2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile?
The InChIKey is WLCPPGGJXAQWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-17-18(15-5-3-4-13(10-15)11-21)12-23-20(22)19(17)14-6-8-16(24)9-7-14/h3-10,12,24H,2H2,1H3,(H2,22,23).
What are the key properties of 3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile?
3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile has a molecular weight of 315.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 122531745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).