N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide

C22H22F3N3O5 — CID 162711375

IUPACN-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
SMILESCCOc1cc(C(F)(F)F)cc(NC(=O)C23CC2(c2ccnc(OC)c2)C2OC3CC2O)n1
InChIInChI=1S/C22H22F3N3O5/c1-3-32-17-8-12(22(23,24)25)6-15(27-17)28-19(30)21-10-20(21,18-13(29)9-14(21)33-18)11-4-5-26-16(7-11)31-2/h4-8,13-14,18,29H,3,9-10H2,1-2H3,(H,27,28,30)
InChIKeyCDFJYRDOFYJZAF-UHFFFAOYSA-N
MW465.43 g/mol
LogP2.70
Rot. Bonds6

About N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide

N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide (PubChem CID 162711375) has the molecular formula C22H22F3N3O5 and a molecular weight of 465.43 g/mol. Its IUPAC name is N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide.

Molecular Properties

Compound NameN-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
PubChem CID162711375
Molecular FormulaC22H22F3N3O5
Molecular Weight465.43 g/mol
Exact Mass465.15
IUPAC NameN-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
SMILESCCOc1cc(C(F)(F)F)cc(NC(=O)C23CC2(c2ccnc(OC)c2)C2OC3CC2O)n1
InChIInChI=1S/C22H22F3N3O5/c1-3-32-17-8-12(22(23,24)25)6-15(27-17)28-19(30)21-10-20(21,18-13(29)9-14(21)33-18)11-4-5-26-16(7-11)31-2/h4-8,13-14,18,29H,3,9-10H2,1-2H3,(H,27,28,30)
InChIKeyCDFJYRDOFYJZAF-UHFFFAOYSA-N
XLogP2.70
TPSA102.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?
The IUPAC name of N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide (CID 162711375) is N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide.
What is the SMILES notation for N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?
The canonical SMILES for N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide is CCOc1cc(C(F)(F)F)cc(NC(=O)C23CC2(c2ccnc(OC)c2)C2OC3CC2O)n1.
What is the InChIKey of N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?
The InChIKey is CDFJYRDOFYJZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O5/c1-3-32-17-8-12(22(23,24)25)6-15(27-17)28-19(30)21-10-20(21,18-13(29)9-14(21)33-18)11-4-5-26-16(7-11)31-2/h4-8,13-14,18,29H,3,9-10H2,1-2H3,(H,27,28,30).
What are the key properties of N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?
N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide has a molecular weight of 465.43 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethoxy-4-(trifluoromethyl)-2-pyridinyl]-6-hydroxy-4-(2-methoxy-4-pyridinyl)-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide is sourced from PubChem (CID 162711375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).