N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

C23H25N5O5 — CID 68686139

IUPACN-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCO)c1cncc(-c2noc(C3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C23H25N5O5/c29-11-9-25-22(31)17-12-16(13-24-14-17)21-26-23(33-27-21)19-8-4-5-10-28(19)20(30)15-32-18-6-2-1-3-7-18/h1-3,6-7,12-14,19,29H,4-5,8-11,15H2,(H,25,31)
InChIKeyZBJUBJOVDVGGEL-UHFFFAOYSA-N
MW451.48 g/mol
LogP1.99
Rot. Bonds8

About N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide

N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (PubChem CID 68686139) has the molecular formula C23H25N5O5 and a molecular weight of 451.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
PubChem CID68686139
Molecular FormulaC23H25N5O5
Molecular Weight451.48 g/mol
Exact Mass451.19
IUPAC NameN-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide
SMILESO=C(NCCO)c1cncc(-c2noc(C3CCCCN3C(=O)COc3ccccc3)n2)c1
InChIInChI=1S/C23H25N5O5/c29-11-9-25-22(31)17-12-16(13-24-14-17)21-26-23(33-27-21)19-8-4-5-10-28(19)20(30)15-32-18-6-2-1-3-7-18/h1-3,6-7,12-14,19,29H,4-5,8-11,15H2,(H,25,31)
InChIKeyZBJUBJOVDVGGEL-UHFFFAOYSA-N
XLogP1.99
TPSA130.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-ethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68687065
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
N,N-diethyl-3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68688139
N-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68691121
2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 68686960
N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686400
N-[2-fluoro-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686403
[4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl] N-ethylcarbamate
CID 69029152
carbamoyl 4-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylate
CID 90731168
2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 68686836
N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156
1-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]piperidin-2-one
CID 68687593

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide (CID 68686139) is N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is O=C(NCCO)c1cncc(-c2noc(C3CCCCN3C(=O)COc3ccccc3)n2)c1.
What is the InChIKey of N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
The InChIKey is ZBJUBJOVDVGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O5/c29-11-9-25-22(31)17-12-16(13-24-14-17)21-26-23(33-27-21)19-8-4-5-10-28(19)20(30)15-32-18-6-2-1-3-7-18/h1-3,6-7,12-14,19,29H,4-5,8-11,15H2,(H,25,31).
What are the key properties of N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide?
N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68686139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).