5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide

C17H16N4O4 — CID 167760484

IUPAC5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESCOc1ccc(-c2noc(Cc3ccc(C(N)=O)nc3)n2)c(OC)c1
InChIInChI=1S/C17H16N4O4/c1-23-11-4-5-12(14(8-11)24-2)17-20-15(25-21-17)7-10-3-6-13(16(18)22)19-9-10/h3-6,8-9H,7H2,1-2H3,(H2,18,22)
InChIKeyUGIQZZURPBNZOE-UHFFFAOYSA-N
MW340.34 g/mol
LogP1.84
Rot. Bonds6

About 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide

5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (PubChem CID 167760484) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
PubChem CID167760484
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide
SMILESCOc1ccc(-c2noc(Cc3ccc(C(N)=O)nc3)n2)c(OC)c1
InChIInChI=1S/C17H16N4O4/c1-23-11-4-5-12(14(8-11)24-2)17-20-15(25-21-17)7-10-3-6-13(16(18)22)19-9-10/h3-6,8-9H,7H2,1-2H3,(H2,18,22)
InChIKeyUGIQZZURPBNZOE-UHFFFAOYSA-N
XLogP1.84
TPSA113.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide (CID 167760484) is 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is COc1ccc(-c2noc(Cc3ccc(C(N)=O)nc3)n2)c(OC)c1.
What is the InChIKey of 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
The InChIKey is UGIQZZURPBNZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c1-23-11-4-5-12(14(8-11)24-2)17-20-15(25-21-17)7-10-3-6-13(16(18)22)19-9-10/h3-6,8-9H,7H2,1-2H3,(H2,18,22).
What are the key properties of 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide?
5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide has a molecular weight of 340.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 167760484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).