N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

C24H27N5O5 — CID 134478472

IUPACN-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1cnc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)cc1OC
InChIInChI=1S/C24H27N5O5/c1-3-33-20-14-25-18(13-19(20)32-2)22-27-24(34-28-22)17-9-11-29(12-10-17)21(30)15-26-23(31)16-7-5-4-6-8-16/h4-8,13-14,17H,3,9-12,15H2,1-2H3,(H,26,31)
InChIKeyKXKFFMBYWMOFPA-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.67
Rot. Bonds8

About N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 134478472) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID134478472
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC NameN-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1cnc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)cc1OC
InChIInChI=1S/C24H27N5O5/c1-3-33-20-14-25-18(13-19(20)32-2)22-27-24(34-28-22)17-9-11-29(12-10-17)21(30)15-26-23(31)16-7-5-4-6-8-16/h4-8,13-14,17H,3,9-12,15H2,1-2H3,(H,26,31)
InChIKeyKXKFFMBYWMOFPA-UHFFFAOYSA-N
XLogP2.67
TPSA119.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 134478472) is N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is CCOc1cnc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)cc1OC.
What is the InChIKey of N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is KXKFFMBYWMOFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-3-33-20-14-25-18(13-19(20)32-2)22-27-24(34-28-22)17-9-11-29(12-10-17)21(30)15-26-23(31)16-7-5-4-6-8-16/h4-8,13-14,17H,3,9-12,15H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 465.51 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-(5-ethoxy-4-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 134478472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).