N-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

C24H27N5O5 — CID 134478021

IUPACN-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)nc1OC
InChIInChI=1S/C24H27N5O5/c1-3-33-19-10-9-18(26-24(19)32-2)21-27-23(34-28-21)17-11-13-29(14-12-17)20(30)15-25-22(31)16-7-5-4-6-8-16/h4-10,17H,3,11-15H2,1-2H3,(H,25,31)
InChIKeyRGWHEHYJKCNGIO-UHFFFAOYSA-N
MW465.51 g/mol
LogP2.67
Rot. Bonds8

About N-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 134478021) has the molecular formula C24H27N5O5 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID134478021
Molecular FormulaC24H27N5O5
Molecular Weight465.51 g/mol
Exact Mass465.20
IUPAC NameN-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCCOc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)nc1OC
InChIInChI=1S/C24H27N5O5/c1-3-33-19-10-9-18(26-24(19)32-2)21-27-23(34-28-21)17-11-13-29(14-12-17)20(30)15-25-22(31)16-7-5-4-6-8-16/h4-10,17H,3,11-15H2,1-2H3,(H,25,31)
InChIKeyRGWHEHYJKCNGIO-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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Related Compounds

N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[4-methyl-6-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44199424
N-((S)-3-{2-Ethyl-4-[5-(4-isobutyl-6-methyl-pyridin-2-yl)-[1,2,4]oxadiazol-3-yl]-6-methyl-phenoxy}-2-hydroxy-propyl)-2-hydroxy-acetamide
CID 44217839
N-[(2S)-3-[2-ethyl-4-[5-(4-methoxy-6-pentan-3-yl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44218479
(5S)-5-[[2-methyl-6-[5-[2-methyl-6-(propan-2-ylamino)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxy]piperidin-2-one
CID 124171442
(5S)-5-[[2,4-dimethyl-6-[5-[2-methyl-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-3-pyridinyl]oxymethyl]pyrrolidin-2-one
CID 124171444
(5R)-5-[2-fluoro-4-[5-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]-1,2,4-oxadiazol-3-yl]phenoxy]piperidin-2-one
CID 124171447
N-methyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
CID 138549833
4-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
CID 138549840
N-methyl-4-[4-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
CID 142752190
(3S,5S)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 54582669
(3R,5R)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-N-[(6-methyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 54586503
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[6-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 76329076

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-(5-ethoxy-6-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-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide (CID 134478021) is N-[2-[4-[3-(5-ethoxy-6-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-6-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-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is CCOc1ccc(-c2noc(C3CCN(C(=O)CNC(=O)c4ccccc4)CC3)n2)nc1OC.
What is the InChIKey of N-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is RGWHEHYJKCNGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O5/c1-3-33-19-10-9-18(26-24(19)32-2)21-27-23(34-28-21)17-11-13-29(14-12-17)20(30)15-25-22(31)16-7-5-4-6-8-16/h4-10,17H,3,11-15H2,1-2H3,(H,25,31).
What are the key properties of N-[2-[4-[3-(5-ethoxy-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-[3-(5-ethoxy-6-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-6-methoxy-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 134478021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).