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

C19H20N4O3 — CID 138549843

IUPACN,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
SMILESCC(C)c1nc(-c2ccc(Oc3ccnc(C(=O)N(C)C)c3)cc2)no1
InChIInChI=1S/C19H20N4O3/c1-12(2)18-21-17(22-26-18)13-5-7-14(8-6-13)25-15-9-10-20-16(11-15)19(24)23(3)4/h5-12H,1-4H3
InChIKeyUZWQBOJXIQZVGG-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.75
Rot. Bonds5

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

N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide (PubChem CID 138549843) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
PubChem CID138549843
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide
SMILESCC(C)c1nc(-c2ccc(Oc3ccnc(C(=O)N(C)C)c3)cc2)no1
InChIInChI=1S/C19H20N4O3/c1-12(2)18-21-17(22-26-18)13-5-7-14(8-6-13)25-15-9-10-20-16(11-15)19(24)23(3)4/h5-12H,1-4H3
InChIKeyUZWQBOJXIQZVGG-UHFFFAOYSA-N
XLogP3.75
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide (CID 138549843) is N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide is CC(C)c1nc(-c2ccc(Oc3ccnc(C(=O)N(C)C)c3)cc2)no1.
What is the InChIKey of N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
The InChIKey is UZWQBOJXIQZVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(2)18-21-17(22-26-18)13-5-7-14(8-6-13)25-15-9-10-20-16(11-15)19(24)23(3)4/h5-12H,1-4H3.
What are the key properties of N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide?
N,N-dimethyl-4-[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 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 138549843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).