(2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide

C17H18F2N4O3 — CID 146526307

IUPAC(2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3c(F)cccc3F)cn2)CCO1
InChIInChI=1S/C17H18F2N4O3/c1-20-17(24)14-10-23(5-6-25-14)9-11-7-22-15(8-21-11)26-16-12(18)3-2-4-13(16)19/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyXJJFCXFDEHJYQN-AWEZNQCLSA-N
MW364.35 g/mol
LogP1.49
Rot. Bonds5

About (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide

(2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 146526307) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID146526307
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name(2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3c(F)cccc3F)cn2)CCO1
InChIInChI=1S/C17H18F2N4O3/c1-20-17(24)14-10-23(5-6-25-14)9-11-7-22-15(8-21-11)26-16-12(18)3-2-4-13(16)19/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,20,24)/t14-/m0/s1
InChIKeyXJJFCXFDEHJYQN-AWEZNQCLSA-N
XLogP1.49
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-((5-(2-Fluoro-4-methylphenoxy)pyrazin-2-YL)methyl)-N-methylmorpholine-2-carboxamide, (2S)-
CID 146526316
US11166958, Example 30
CID 146526237
US11166958, Example 36
CID 146526251
US11166958, Example 5
CID 146526322
US11166958, Example 31
CID 146526328
US11166958, Example 1
CID 146526330
US11166958, Example 6
CID 146526461
US11166958, Example 9
CID 146526467
US11166958, Example 8
CID 146526468
US11166958, Example 33
CID 146526248
US11166958, Example 3
CID 146526313
US11166958, Example 34
CID 146526324

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (CID 146526307) is (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2cnc(Oc3c(F)cccc3F)cn2)CCO1.
What is the InChIKey of (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is XJJFCXFDEHJYQN-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-20-17(24)14-10-23(5-6-25-14)9-11-7-22-15(8-21-11)26-16-12(18)3-2-4-13(16)19/h2-4,7-8,14H,5-6,9-10H2,1H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 364.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(2,6-difluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146526307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).