4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide

C16H25N5O3 — CID 56919000

IUPAC4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCOC(C(=O)NCc2cnc(C)cn2)C1
InChIInChI=1S/C16H25N5O3/c1-4-20(5-2)16(23)21-6-7-24-14(11-21)15(22)19-10-13-9-17-12(3)8-18-13/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeySAMXETUBFNKGBO-UHFFFAOYSA-N
MW335.41 g/mol
LogP0.56
Rot. Bonds5

About 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide

4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide (PubChem CID 56919000) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide
PubChem CID56919000
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCOC(C(=O)NCc2cnc(C)cn2)C1
InChIInChI=1S/C16H25N5O3/c1-4-20(5-2)16(23)21-6-7-24-14(11-21)15(22)19-10-13-9-17-12(3)8-18-13/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,22)
InChIKeySAMXETUBFNKGBO-UHFFFAOYSA-N
XLogP0.56
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide (CID 56919000) is 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide is CCN(CC)C(=O)N1CCOC(C(=O)NCc2cnc(C)cn2)C1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide?
The InChIKey is SAMXETUBFNKGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-4-20(5-2)16(23)21-6-7-24-14(11-21)15(22)19-10-13-9-17-12(3)8-18-13/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,22).
What are the key properties of 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide?
4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide has a molecular weight of 335.41 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-[(5-methylpyrazin-2-yl)methyl]morpholine-2,4-dicarboxamide is sourced from PubChem (CID 56919000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).