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

C18H20F2N4O3 — CID 146526237

IUPAC(2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3F)cn2)CCO1
InChIInChI=1S/C18H20F2N4O3/c1-2-21-18(25)16-11-24(5-6-26-16)10-13-8-23-17(9-22-13)27-15-4-3-12(19)7-14(15)20/h3-4,7-9,16H,2,5-6,10-11H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyZMLGRIVVVJTVTF-INIZCTEOSA-N
MW378.38 g/mol
LogP1.88
Rot. Bonds6

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

(2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide (PubChem CID 146526237) has the molecular formula C18H20F2N4O3 and a molecular weight of 378.38 g/mol. Its IUPAC name is (2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide
PubChem CID146526237
Molecular FormulaC18H20F2N4O3
Molecular Weight378.38 g/mol
Exact Mass378.15
IUPAC Name(2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3F)cn2)CCO1
InChIInChI=1S/C18H20F2N4O3/c1-2-21-18(25)16-11-24(5-6-26-16)10-13-8-23-17(9-22-13)27-15-4-3-12(19)7-14(15)20/h3-4,7-9,16H,2,5-6,10-11H2,1H3,(H,21,25)/t16-/m0/s1
InChIKeyZMLGRIVVVJTVTF-INIZCTEOSA-N
XLogP1.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide (CID 146526237) is (2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide is CCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3F)cn2)CCO1.
What is the InChIKey of (2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide?
The InChIKey is ZMLGRIVVVJTVTF-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20F2N4O3/c1-2-21-18(25)16-11-24(5-6-26-16)10-13-8-23-17(9-22-13)27-15-4-3-12(19)7-14(15)20/h3-4,7-9,16H,2,5-6,10-11H2,1H3,(H,21,25)/t16-/m0/s1.
What are the key properties of (2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide?
(2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(2,4-difluorophenoxy)pyrazin-2-yl]methyl]-N-ethylmorpholine-2-carboxamide is sourced from PubChem (CID 146526237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).