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

C19H20F3N3O3 — CID 58315496

IUPACN-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)12-28-17-6-5-15(10-24-17)18(26)25-9-13-1-3-14(4-2-13)16-11-23-7-8-27-16/h1-6,10,16,23H,7-9,11-12H2,(H,25,26)/t16-/m0/s1
InChIKeyASOORYLEUXUFFI-INIZCTEOSA-N
MW395.38 g/mol
LogP2.61
Rot. Bonds6

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

N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 58315496) has the molecular formula C19H20F3N3O3 and a molecular weight of 395.38 g/mol. Its IUPAC name is N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID58315496
Molecular FormulaC19H20F3N3O3
Molecular Weight395.38 g/mol
Exact Mass395.15
IUPAC NameN-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H20F3N3O3/c20-19(21,22)12-28-17-6-5-15(10-24-17)18(26)25-9-13-1-3-14(4-2-13)16-11-23-7-8-27-16/h1-6,10,16,23H,7-9,11-12H2,(H,25,26)/t16-/m0/s1
InChIKeyASOORYLEUXUFFI-INIZCTEOSA-N
XLogP2.61
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 58315496) is N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1ccc([C@@H]2CNCCO2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is ASOORYLEUXUFFI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20F3N3O3/c20-19(21,22)12-28-17-6-5-15(10-24-17)18(26)25-9-13-1-3-14(4-2-13)16-11-23-7-8-27-16/h1-6,10,16,23H,7-9,11-12H2,(H,25,26)/t16-/m0/s1.
What are the key properties of N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 395.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 58315496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).