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

C19H20N4O3 — CID 138549859

IUPACN-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(-c3noc(CC(C)C)n3)c2)ccn1
InChIInChI=1S/C19H20N4O3/c1-12(2)9-17-22-18(23-26-17)13-5-4-6-14(10-13)25-15-7-8-21-16(11-15)19(24)20-3/h4-8,10-12H,9H2,1-3H3,(H,20,24)
InChIKeyQKIWVCWLOYSWDN-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.48
Rot. Bonds6

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

N-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide (PubChem CID 138549859) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
PubChem CID138549859
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(-c3noc(CC(C)C)n3)c2)ccn1
InChIInChI=1S/C19H20N4O3/c1-12(2)9-17-22-18(23-26-17)13-5-4-6-14(10-13)25-15-7-8-21-16(11-15)19(24)20-3/h4-8,10-12H,9H2,1-3H3,(H,20,24)
InChIKeyQKIWVCWLOYSWDN-UHFFFAOYSA-N
XLogP3.48
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.48
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-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide (CID 138549859) is N-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(-c3noc(CC(C)C)n3)c2)ccn1.
What is the InChIKey of N-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide?
The InChIKey is QKIWVCWLOYSWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12(2)9-17-22-18(23-26-17)13-5-4-6-14(10-13)25-15-7-8-21-16(11-15)19(24)20-3/h4-8,10-12H,9H2,1-3H3,(H,20,24).
What are the key properties of N-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[3-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 3.48, 6 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-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 138549859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).