2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide

C17H25F2N3O3 — CID 126811164

IUPAC2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide
SMILESC[C@@H]1CN(CCN(C)C(=O)c2ccnc(OCC(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C17H25F2N3O3/c1-12-9-22(10-13(2)25-12)7-6-21(3)17(23)14-4-5-20-16(8-14)24-11-15(18)19/h4-5,8,12-13,15H,6-7,9-11H2,1-3H3/t12-,13+
InChIKeyVOYZLZUTMVEPIH-BETUJISGSA-N
MW357.40 g/mol
LogP1.91
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide

2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide (PubChem CID 126811164) has the molecular formula C17H25F2N3O3 and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide
PubChem CID126811164
Molecular FormulaC17H25F2N3O3
Molecular Weight357.40 g/mol
Exact Mass357.19
IUPAC Name2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide
SMILESC[C@@H]1CN(CCN(C)C(=O)c2ccnc(OCC(F)F)c2)C[C@H](C)O1
InChIInChI=1S/C17H25F2N3O3/c1-12-9-22(10-13(2)25-12)7-6-21(3)17(23)14-4-5-20-16(8-14)24-11-15(18)19/h4-5,8,12-13,15H,6-7,9-11H2,1-3H3/t12-,13+
InChIKeyVOYZLZUTMVEPIH-BETUJISGSA-N
XLogP1.91
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide (CID 126811164) is 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide is C[C@@H]1CN(CCN(C)C(=O)c2ccnc(OCC(F)F)c2)C[C@H](C)O1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide?
The InChIKey is VOYZLZUTMVEPIH-BETUJISGSA-N. The full InChI is InChI=1S/C17H25F2N3O3/c1-12-9-22(10-13(2)25-12)7-6-21(3)17(23)14-4-5-20-16(8-14)24-11-15(18)19/h4-5,8,12-13,15H,6-7,9-11H2,1-3H3/t12-,13+.
What are the key properties of 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide?
2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide has a molecular weight of 357.40 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 126811164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).