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

C20H17N3O — CID 122531715

IUPAC3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1cccc(C#N)c1
InChIInChI=1S/C20H17N3O/c1-2-17-18(14-6-8-16(24)9-7-14)12-23-20(22)19(17)15-5-3-4-13(10-15)11-21/h3-10,12,24H,2H2,1H3,(H2,22,23)
InChIKeyMMUSYYVQWDEOOL-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.14
Rot. Bonds3

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

3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile (PubChem CID 122531715) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile
PubChem CID122531715
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile
SMILESCCc1c(-c2ccc(O)cc2)cnc(N)c1-c1cccc(C#N)c1
InChIInChI=1S/C20H17N3O/c1-2-17-18(14-6-8-16(24)9-7-14)12-23-20(22)19(17)15-5-3-4-13(10-15)11-21/h3-10,12,24H,2H2,1H3,(H2,22,23)
InChIKeyMMUSYYVQWDEOOL-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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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile?
The IUPAC name of 3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile (CID 122531715) is 3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile?
The canonical SMILES for 3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile is CCc1c(-c2ccc(O)cc2)cnc(N)c1-c1cccc(C#N)c1.
What is the InChIKey of 3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile?
The InChIKey is MMUSYYVQWDEOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-2-17-18(14-6-8-16(24)9-7-14)12-23-20(22)19(17)15-5-3-4-13(10-15)11-21/h3-10,12,24H,2H2,1H3,(H2,22,23).
What are the key properties of 3-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile?
3-[2-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-[2-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]benzonitrile is sourced from PubChem (CID 122531715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).