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

C19H20N4O3 — CID 138549860

IUPACN-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3noc(C(C)C)n3)cc2C)ccn1
InChIInChI=1S/C19H20N4O3/c1-11(2)19-22-17(23-26-19)13-5-6-16(12(3)9-13)25-14-7-8-21-15(10-14)18(24)20-4/h5-11H,1-4H3,(H,20,24)
InChIKeyQVHZPWRHPSJMNL-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.72
Rot. Bonds5

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

N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide (PubChem CID 138549860) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
PubChem CID138549860
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3noc(C(C)C)n3)cc2C)ccn1
InChIInChI=1S/C19H20N4O3/c1-11(2)19-22-17(23-26-19)13-5-6-16(12(3)9-13)25-14-7-8-21-15(10-14)18(24)20-4/h5-11H,1-4H3,(H,20,24)
InChIKeyQVHZPWRHPSJMNL-UHFFFAOYSA-N
XLogP3.72
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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 N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide (CID 138549860) is N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(-c3noc(C(C)C)n3)cc2C)ccn1.
What is the InChIKey of N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
The InChIKey is QVHZPWRHPSJMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-11(2)19-22-17(23-26-19)13-5-6-16(12(3)9-13)25-14-7-8-21-15(10-14)18(24)20-4/h5-11H,1-4H3,(H,20,24).
What are the key properties of N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-methyl-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 138549860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).