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

C17H19FN4O3 — CID 146526467

IUPAC(2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3F)cn2)CCO1
InChIInChI=1S/C17H19FN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-12-8-21-16(9-20-12)25-14-5-3-2-4-13(14)18/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeySQEXABKSBRFEIN-HNNXBMFYSA-N
MW346.36 g/mol
LogP1.35
Rot. Bonds5

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

(2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (PubChem CID 146526467) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is (2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
PubChem CID146526467
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name(2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3F)cn2)CCO1
InChIInChI=1S/C17H19FN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-12-8-21-16(9-20-12)25-14-5-3-2-4-13(14)18/h2-5,8-9,15H,6-7,10-11H2,1H3,(H,19,23)/t15-/m0/s1
InChIKeySQEXABKSBRFEIN-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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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The IUPAC name of (2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide (CID 146526467) is (2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The canonical SMILES for (2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3F)cn2)CCO1.
What is the InChIKey of (2S)-4-[[5-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
The InChIKey is SQEXABKSBRFEIN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-19-17(23)15-11-22(6-7-24-15)10-12-8-21-16(9-20-12)25-14-5-3-2-4-13(14)18/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-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide?
(2S)-4-[[5-(2-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-(2-fluorophenoxy)pyrazin-2-yl]methyl]-N-methylmorpholine-2-carboxamide is sourced from PubChem (CID 146526467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).