2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone

C24H30FN5O2 — CID 123307357

IUPAC2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCCC1=CC(c2ccc(F)c(C)c2)=CCN1CC(=O)N1CCN(c2nnc(CC)o2)CC1
InChIInChI=1S/C24H30FN5O2/c1-4-20-15-19(18-6-7-21(25)17(3)14-18)8-9-30(20)16-23(31)28-10-12-29(13-11-28)24-27-26-22(5-2)32-24/h6-8,14-15H,4-5,9-13,16H2,1-3H3
InChIKeyKSAYGPWJJUAXGA-UHFFFAOYSA-N
MW439.54 g/mol
LogP3.42
Rot. Bonds6

About 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone

2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 123307357) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID123307357
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
SMILESCCC1=CC(c2ccc(F)c(C)c2)=CCN1CC(=O)N1CCN(c2nnc(CC)o2)CC1
InChIInChI=1S/C24H30FN5O2/c1-4-20-15-19(18-6-7-21(25)17(3)14-18)8-9-30(20)16-23(31)28-10-12-29(13-11-28)24-27-26-22(5-2)32-24/h6-8,14-15H,4-5,9-13,16H2,1-3H3
InChIKeyKSAYGPWJJUAXGA-UHFFFAOYSA-N
XLogP3.42
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone (CID 123307357) is 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is CCC1=CC(c2ccc(F)c(C)c2)=CCN1CC(=O)N1CCN(c2nnc(CC)o2)CC1.
What is the InChIKey of 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is KSAYGPWJJUAXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-4-20-15-19(18-6-7-21(25)17(3)14-18)8-9-30(20)16-23(31)28-10-12-29(13-11-28)24-27-26-22(5-2)32-24/h6-8,14-15H,4-5,9-13,16H2,1-3H3.
What are the key properties of 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone?
2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 439.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-ethyl-4-(4-fluoro-3-methylphenyl)-2H-pyridin-1-yl]-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 123307357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).