2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

C20H22N4O3 — CID 77083425

IUPAC2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCc1nc(C)ccc1OCC(=O)N(C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H22N4O3/c1-4-16-17(11-10-14(2)21-16)26-13-19(25)24(3)12-18-22-23-20(27-18)15-8-6-5-7-9-15/h5-11H,4,12-13H2,1-3H3
InChIKeyBIYVXKUZKXOCBK-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.04
Rot. Bonds7

About 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (PubChem CID 77083425) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
PubChem CID77083425
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
SMILESCCc1nc(C)ccc1OCC(=O)N(C)Cc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H22N4O3/c1-4-16-17(11-10-14(2)21-16)26-13-19(25)24(3)12-18-22-23-20(27-18)15-8-6-5-7-9-15/h5-11H,4,12-13H2,1-3H3
InChIKeyBIYVXKUZKXOCBK-UHFFFAOYSA-N
XLogP3.04
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide (CID 77083425) is 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is CCc1nc(C)ccc1OCC(=O)N(C)Cc1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
The InChIKey is BIYVXKUZKXOCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-4-16-17(11-10-14(2)21-16)26-13-19(25)24(3)12-18-22-23-20(27-18)15-8-6-5-7-9-15/h5-11H,4,12-13H2,1-3H3.
What are the key properties of 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide?
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide has a molecular weight of 366.42 g/mol, XLogP of 3.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 77083425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).