(2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide

C17H19FN4O3 — CID 146526330

IUPAC(2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3)cn2)CCO1
InChIInChI=1S/C17H19FN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-13-8-21-16(9-20-13)25-14-4-2-12(18)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyDXTAODXCFLPPNG-HNNXBMFYSA-N
MW346.36 g/mol
LogP1.35
Rot. Bonds5

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

(2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 146526330) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID146526330
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3)cn2)CCO1
InChIInChI=1S/C17H19FN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-13-8-21-16(9-20-13)25-14-4-2-12(18)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeyDXTAODXCFLPPNG-HNNXBMFYSA-N
XLogP1.35
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 146526316
CID 146526316
CID 146526237
CID 146526237
CID 146526251
CID 146526251
CID 146526307
CID 146526307
CID 146526322
CID 146526322
CID 146526328
CID 146526328
CID 146526461
CID 146526461
CID 146526467
CID 146526467
CID 146526468
CID 146526468
CID 146526248
CID 146526248
CID 146526313
CID 146526313
CID 146526324
CID 146526324

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (CID 146526330) is (2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccc(F)cc3)cn2)CCO1.
What is the InChIKey of (2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is DXTAODXCFLPPNG-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-13-8-21-16(9-20-13)25-14-4-2-12(18)3-5-14/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1.
What are the key properties of (2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(4-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146526330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).