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

C16H11F3N4O3 — CID 138549834

IUPACN-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)ccn1
InChIInChI=1S/C16H11F3N4O3/c1-20-14(24)12-8-11(6-7-21-12)25-10-4-2-9(3-5-10)13-22-15(26-23-13)16(17,18)19/h2-8H,1H3,(H,20,24)
InChIKeyNHGFWYNSFVVIPH-UHFFFAOYSA-N
MW364.28 g/mol
LogP3.30
Rot. Bonds4

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

N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide (PubChem CID 138549834) has the molecular formula C16H11F3N4O3 and a molecular weight of 364.28 g/mol. Its IUPAC name is N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
PubChem CID138549834
Molecular FormulaC16H11F3N4O3
Molecular Weight364.28 g/mol
Exact Mass364.08
IUPAC NameN-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)ccn1
InChIInChI=1S/C16H11F3N4O3/c1-20-14(24)12-8-11(6-7-21-12)25-10-4-2-9(3-5-10)13-22-15(26-23-13)16(17,18)19/h2-8H,1H3,(H,20,24)
InChIKeyNHGFWYNSFVVIPH-UHFFFAOYSA-N
XLogP3.30
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide (CID 138549834) is N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide?
The InChIKey is NHGFWYNSFVVIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O3/c1-20-14(24)12-8-11(6-7-21-12)25-10-4-2-9(3-5-10)13-22-15(26-23-13)16(17,18)19/h2-8H,1H3,(H,20,24).
What are the key properties of N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide has a molecular weight of 364.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 138549834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).