4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide

C20H22N4O3 — CID 142556476

IUPAC4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2c(C)cc(-c3noc(C(C)C)n3)cc2C)ccn1
InChIInChI=1S/C20H22N4O3/c1-11(2)20-23-18(24-27-20)14-8-12(3)17(13(4)9-14)26-15-6-7-22-16(10-15)19(25)21-5/h6-11H,1-5H3,(H,21,25)
InChIKeyUAHHWNAURYQQNC-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.02
Rot. Bonds5

About 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide

4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 142556476) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID142556476
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2c(C)cc(-c3noc(C(C)C)n3)cc2C)ccn1
InChIInChI=1S/C20H22N4O3/c1-11(2)20-23-18(24-27-20)14-8-12(3)17(13(4)9-14)26-15-6-7-22-16(10-15)19(25)21-5/h6-11H,1-5H3,(H,21,25)
InChIKeyUAHHWNAURYQQNC-UHFFFAOYSA-N
XLogP4.02
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-[4-[5-(2-cyclopentyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-2-ethyl-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 76325522
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[2-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 76325532
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[2-(3-methylbutyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 86299710
US9617250, Example 57 of D1
CID 25031771
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[4-methyl-6-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44199424
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-[4-methyl-5-(2-methylpropyl)-2-pyridinyl]-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 44218002
N-[(2S)-3-[2-ethyl-4-[5-[2-methoxy-6-(2-methylpropyl)-4-pyridinyl]-1,2,4-oxadiazol-3-yl]-6-methylphenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 68547259
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-pentan-3-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 76321895
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-propyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 76325531
N-[(2S)-3-[2-ethyl-6-methyl-4-[5-(2-propan-2-yl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]phenoxy]-2-hydroxypropyl]-2-hydroxyacetamide
CID 76336361
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
Pyrimidine-4-carboxamide, 81
CID 44520954

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide (CID 142556476) is 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2c(C)cc(-c3noc(C(C)C)n3)cc2C)ccn1.
What is the InChIKey of 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is UAHHWNAURYQQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-11(2)20-23-18(24-27-20)14-8-12(3)17(13(4)9-14)26-15-6-7-22-16(10-15)19(25)21-5/h6-11H,1-5H3,(H,21,25).
What are the key properties of 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide?
4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dimethyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 142556476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).