N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C18H18F3N3O3 — CID 66705789

IUPACN-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15/h1-6,9,15,22H,7-8,10-11H2,(H,24,25)
InChIKeyMJEAXYXDZPINIR-UHFFFAOYSA-N
MW381.35 g/mol
LogP2.94
Rot. Bonds5

About N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 66705789) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID66705789
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15/h1-6,9,15,22H,7-8,10-11H2,(H,24,25)
InChIKeyMJEAXYXDZPINIR-UHFFFAOYSA-N
XLogP2.94
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 66705789) is N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(Nc1ccc(C2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is MJEAXYXDZPINIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)11-27-16-6-3-13(9-23-16)17(25)24-14-4-1-12(2-5-14)15-10-22-7-8-26-15/h1-6,9,15,22H,7-8,10-11H2,(H,24,25).
What are the key properties of N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-2-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 66705789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).