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

C18H18N4O3 — CID 142556473

IUPACN-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(-c3noc(C(C)C)n3)c2)ccn1
InChIInChI=1S/C18H18N4O3/c1-11(2)18-21-16(22-25-18)12-5-4-6-13(9-12)24-14-7-8-20-15(10-14)17(23)19-3/h4-11H,1-3H3,(H,19,23)
InChIKeyHYNNXFWNAZOALE-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.41
Rot. Bonds5

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

N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide (PubChem CID 142556473) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
PubChem CID142556473
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC NameN-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(-c3noc(C(C)C)n3)c2)ccn1
InChIInChI=1S/C18H18N4O3/c1-11(2)18-21-16(22-25-18)12-5-4-6-13(9-12)24-14-7-8-20-15(10-14)17(23)19-3/h4-11H,1-3H3,(H,19,23)
InChIKeyHYNNXFWNAZOALE-UHFFFAOYSA-N
XLogP3.41
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide (CID 142556473) is N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(-c3noc(C(C)C)n3)c2)ccn1.
What is the InChIKey of N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
The InChIKey is HYNNXFWNAZOALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-11(2)18-21-16(22-25-18)12-5-4-6-13(9-12)24-14-7-8-20-15(10-14)17(23)19-3/h4-11H,1-3H3,(H,19,23).
What are the key properties of N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide has a molecular weight of 338.37 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 142556473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).