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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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).