3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide

C26H26N4O6 — CID 23649282

IUPAC3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(Oc3ccnc(-c4nnco4)c3)c2)cc(OCC)c1OCC
InChIInChI=1S/C26H26N4O6/c1-4-32-22-12-17(13-23(33-5-2)24(22)34-6-3)25(31)29-18-8-7-9-19(14-18)36-20-10-11-27-21(15-20)26-30-28-16-35-26/h7-16H,4-6H2,1-3H3,(H,29,31)
InChIKeyULJSOKZUADZBBW-UHFFFAOYSA-N
MW490.52 g/mol
LogP5.37
Rot. Bonds11

About 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide

3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide (PubChem CID 23649282) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide
PubChem CID23649282
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2cccc(Oc3ccnc(-c4nnco4)c3)c2)cc(OCC)c1OCC
InChIInChI=1S/C26H26N4O6/c1-4-32-22-12-17(13-23(33-5-2)24(22)34-6-3)25(31)29-18-8-7-9-19(14-18)36-20-10-11-27-21(15-20)26-30-28-16-35-26/h7-16H,4-6H2,1-3H3,(H,29,31)
InChIKeyULJSOKZUADZBBW-UHFFFAOYSA-N
XLogP5.37
TPSA117.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[4-[(3,4,5-triethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1112721
5-chloro-6-ethoxy-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]pyridine-3-carboxamide
CID 71931594
[3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid
CID 69411494
4-(3-aminophenoxy)-N-methylpyridine-2-carboxamide;4-chloro-N-methylpyridine-2-carboxamide;methyl 4-chloropyridine-2-carboxylate;N-methyl-4-[3-[(3,4,5-triethoxybenzoyl)amino]phenoxy]pyridine-2-carboxamide;hydrochloride
CID 159309729
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576
3,4,5-triethoxy-N-[(3-methoxyphenyl)carbamothioyl]benzamide
CID 1048188
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 108922676
N-(3,5-dimethoxyphenyl)-3,4,5-triethoxybenzamide
CID 2182234
3,4,5-triethoxy-N-(3-hydroxy-2-pyridinyl)benzamide
CID 18109391
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide (CID 23649282) is 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide is CCOc1cc(C(=O)Nc2cccc(Oc3ccnc(-c4nnco4)c3)c2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide?
The InChIKey is ULJSOKZUADZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O6/c1-4-32-22-12-17(13-23(33-5-2)24(22)34-6-3)25(31)29-18-8-7-9-19(14-18)36-20-10-11-27-21(15-20)26-30-28-16-35-26/h7-16H,4-6H2,1-3H3,(H,29,31).
What are the key properties of 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide?
3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide has a molecular weight of 490.52 g/mol, XLogP of 5.37, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide is sourced from PubChem (CID 23649282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).