N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C15H20F3N3O3 — CID 94022187

IUPACN-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESC[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)N1CCOCC1
InChIInChI=1S/C15H20F3N3O3/c1-11(21-4-6-23-7-5-21)8-20-14(22)12-2-3-13(19-9-12)24-10-15(16,17)18/h2-3,9,11H,4-8,10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyWCDBPCICABXFIJ-LLVKDONJSA-N
MW347.34 g/mol
LogP1.47
Rot. Bonds6

About N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 94022187) has the molecular formula C15H20F3N3O3 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID94022187
Molecular FormulaC15H20F3N3O3
Molecular Weight347.34 g/mol
Exact Mass347.15
IUPAC NameN-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESC[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)N1CCOCC1
InChIInChI=1S/C15H20F3N3O3/c1-11(21-4-6-23-7-5-21)8-20-14(22)12-2-3-13(19-9-12)24-10-15(16,17)18/h2-3,9,11H,4-8,10H2,1H3,(H,20,22)/t11-/m1/s1
InChIKeyWCDBPCICABXFIJ-LLVKDONJSA-N
XLogP1.47
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 94022187) is N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is C[C@H](CNC(=O)c1ccc(OCC(F)(F)F)nc1)N1CCOCC1.
What is the InChIKey of N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is WCDBPCICABXFIJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H20F3N3O3/c1-11(21-4-6-23-7-5-21)8-20-14(22)12-2-3-13(19-9-12)24-10-15(16,17)18/h2-3,9,11H,4-8,10H2,1H3,(H,20,22)/t11-/m1/s1.
What are the key properties of N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-morpholin-4-ylpropyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 94022187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).