5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C17H22F3N3O3 — CID 71294351

IUPAC5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESC[C@@H]1CN(NC(=O)c2cnc(OCC(F)(F)F)c(C3CC3)c2)C[C@H](C)O1
InChIInChI=1S/C17H22F3N3O3/c1-10-7-23(8-11(2)26-10)22-15(24)13-5-14(12-3-4-12)16(21-6-13)25-9-17(18,19)20/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,22,24)/t10-,11+
InChIKeyQLXCBGDEQUSBOG-PHIMTYICSA-N
MW373.38 g/mol
LogP2.65
Rot. Bonds5

About 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 71294351) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID71294351
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESC[C@@H]1CN(NC(=O)c2cnc(OCC(F)(F)F)c(C3CC3)c2)C[C@H](C)O1
InChIInChI=1S/C17H22F3N3O3/c1-10-7-23(8-11(2)26-10)22-15(24)13-5-14(12-3-4-12)16(21-6-13)25-9-17(18,19)20/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,22,24)/t10-,11+
InChIKeyQLXCBGDEQUSBOG-PHIMTYICSA-N
XLogP2.65
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 71294351) is 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is C[C@@H]1CN(NC(=O)c2cnc(OCC(F)(F)F)c(C3CC3)c2)C[C@H](C)O1.
What is the InChIKey of 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is QLXCBGDEQUSBOG-PHIMTYICSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-10-7-23(8-11(2)26-10)22-15(24)13-5-14(12-3-4-12)16(21-6-13)25-9-17(18,19)20/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,22,24)/t10-,11+.
What are the key properties of 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71294351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).