5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide

C18H19F3N2O4 — CID 154645452

IUPAC5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C(C)(C)C)cnc1C(N)=O
InChIInChI=1S/C18H19F3N2O4/c1-17(2,3)10-7-14(15(16(22)24)23-9-10)26-12-6-5-11(8-13(12)25-4)27-18(19,20)21/h5-9H,1-4H3,(H2,22,24)
InChIKeyLIYPLUYCLSPMPN-UHFFFAOYSA-N
MW384.35 g/mol
LogP4.18
Rot. Bonds5

About 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide

5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide (PubChem CID 154645452) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
PubChem CID154645452
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide
SMILESCOc1cc(OC(F)(F)F)ccc1Oc1cc(C(C)(C)C)cnc1C(N)=O
InChIInChI=1S/C18H19F3N2O4/c1-17(2,3)10-7-14(15(16(22)24)23-9-10)26-12-6-5-11(8-13(12)25-4)27-18(19,20)21/h5-9H,1-4H3,(H2,22,24)
InChIKeyLIYPLUYCLSPMPN-UHFFFAOYSA-N
XLogP4.18
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
The IUPAC name of 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide (CID 154645452) is 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
The canonical SMILES for 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide is COc1cc(OC(F)(F)F)ccc1Oc1cc(C(C)(C)C)cnc1C(N)=O.
What is the InChIKey of 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
The InChIKey is LIYPLUYCLSPMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-17(2,3)10-7-14(15(16(22)24)23-9-10)26-12-6-5-11(8-13(12)25-4)27-18(19,20)21/h5-9H,1-4H3,(H2,22,24).
What are the key properties of 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide?
5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide has a molecular weight of 384.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-[2-methoxy-4-(trifluoromethoxy)phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 154645452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).