4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide

C18H16N4O3 — CID 138549835

IUPAC4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3noc(C4CC4)n3)cc2)ccn1
InChIInChI=1S/C18H16N4O3/c1-19-17(23)15-10-14(8-9-20-15)24-13-6-4-11(5-7-13)16-21-18(25-22-16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,19,23)
InChIKeySLLKJZPJXJSDBY-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.16
Rot. Bonds5

About 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide

4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 138549835) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID138549835
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3noc(C4CC4)n3)cc2)ccn1
InChIInChI=1S/C18H16N4O3/c1-19-17(23)15-10-14(8-9-20-15)24-13-6-4-11(5-7-13)16-21-18(25-22-16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,19,23)
InChIKeySLLKJZPJXJSDBY-UHFFFAOYSA-N
XLogP3.16
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide (CID 138549835) is 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(-c3noc(C4CC4)n3)cc2)ccn1.
What is the InChIKey of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is SLLKJZPJXJSDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-19-17(23)15-10-14(8-9-20-15)24-13-6-4-11(5-7-13)16-21-18(25-22-16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,19,23).
What are the key properties of 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 138549835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).