(2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide

C17H20N4O3 — CID 146526324

IUPAC(2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3)cn2)CCO1
InChIInChI=1S/C17H20N4O3/c1-18-17(22)15-12-21(7-8-23-15)11-13-9-20-16(10-19-13)24-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyMHJNHRGNTAVGKM-HNNXBMFYSA-N
MW328.37 g/mol
LogP1.22
Rot. Bonds5

About (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide

(2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide (PubChem CID 146526324) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide
PubChem CID146526324
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name(2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3)cn2)CCO1
InChIInChI=1S/C17H20N4O3/c1-18-17(22)15-12-21(7-8-23-15)11-13-9-20-16(10-19-13)24-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,18,22)/t15-/m0/s1
InChIKeyMHJNHRGNTAVGKM-HNNXBMFYSA-N
XLogP1.22
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide (CID 146526324) is (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide is CNC(=O)[C@@H]1CN(Cc2cnc(Oc3ccccc3)cn2)CCO1.
What is the InChIKey of (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide?
The InChIKey is MHJNHRGNTAVGKM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-18-17(22)15-12-21(7-8-23-15)11-13-9-20-16(10-19-13)24-14-5-3-2-4-6-14/h2-6,9-10,15H,7-8,11-12H2,1H3,(H,18,22)/t15-/m0/s1.
What are the key properties of (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide?
(2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-4-[(5-phenoxypyrazin-2-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 146526324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).