4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile

C22H20N2 — CID 19842018

IUPAC4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
SMILESCCc1ccc(CCc2ccc(-c3ccc(C#N)cc3)nc2)cc1
InChIInChI=1S/C22H20N2/c1-2-17-3-5-18(6-4-17)7-8-20-11-14-22(24-16-20)21-12-9-19(15-23)10-13-21/h3-6,9-14,16H,2,7-8H2,1H3
InChIKeyWQMBGGINMMKKGP-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.97
Rot. Bonds5

About 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile

4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile (PubChem CID 19842018) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
PubChem CID19842018
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
SMILESCCc1ccc(CCc2ccc(-c3ccc(C#N)cc3)nc2)cc1
InChIInChI=1S/C22H20N2/c1-2-17-3-5-18(6-4-17)7-8-20-11-14-22(24-16-20)21-12-9-19(15-23)10-13-21/h3-6,9-14,16H,2,7-8H2,1H3
InChIKeyWQMBGGINMMKKGP-UHFFFAOYSA-N
XLogP4.97
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-[4-[2-(4-pentylphenyl)ethyl]phenyl]pyridine-3-carbonitrile
CID 19842065
2-(4-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
2-[6-(4-ethylphenyl)-3-pyridinyl]ethanamine
CID 117001771
6-[4-[2-(4-pentoxyphenyl)ethyl]phenyl]pyridine-3-carbonitrile
CID 19841809
2,5-bis(4-ethylphenyl)pyridine
CID 101383412
6-[4-(5-cyano-2-pyridinyl)phenyl]pyridine-3-carbonitrile
CID 11849612
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
6-(4-prop-2-enylphenyl)pyridine-3-carbonitrile
CID 69230670
4-ethylbenzonitrile;fluoromethane
CID 143083977
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile?
The IUPAC name of 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile (CID 19842018) is 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile is CCc1ccc(CCc2ccc(-c3ccc(C#N)cc3)nc2)cc1.
What is the InChIKey of 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile?
The InChIKey is WQMBGGINMMKKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-2-17-3-5-18(6-4-17)7-8-20-11-14-22(24-16-20)21-12-9-19(15-23)10-13-21/h3-6,9-14,16H,2,7-8H2,1H3.
What are the key properties of 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile?
4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile has a molecular weight of 312.42 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 19842018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).