5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide

C22H21N5O4 — CID 90728857

IUPAC5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide
SMILESNC(=O)C1=C(C(=O)Nc2ccc(N3CCOCC3=O)cc2)N=CCN1c1ccccc1
InChIInChI=1S/C22H21N5O4/c23-21(29)20-19(24-10-11-27(20)16-4-2-1-3-5-16)22(30)25-15-6-8-17(9-7-15)26-12-13-31-14-18(26)28/h1-10H,11-14H2,(H2,23,29)(H,25,30)
InChIKeyFFPRBZUHXBYRIL-UHFFFAOYSA-N
MW419.44 g/mol
LogP1.28
Rot. Bonds5

About 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide

5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide (PubChem CID 90728857) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide
PubChem CID90728857
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide
SMILESNC(=O)C1=C(C(=O)Nc2ccc(N3CCOCC3=O)cc2)N=CCN1c1ccccc1
InChIInChI=1S/C22H21N5O4/c23-21(29)20-19(24-10-11-27(20)16-4-2-1-3-5-16)22(30)25-15-6-8-17(9-7-15)26-12-13-31-14-18(26)28/h1-10H,11-14H2,(H2,23,29)(H,25,30)
InChIKeyFFPRBZUHXBYRIL-UHFFFAOYSA-N
XLogP1.28
TPSA117.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide?
The IUPAC name of 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide (CID 90728857) is 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide.
What is the SMILES notation for 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide?
The canonical SMILES for 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide is NC(=O)C1=C(C(=O)Nc2ccc(N3CCOCC3=O)cc2)N=CCN1c1ccccc1.
What is the InChIKey of 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide?
The InChIKey is FFPRBZUHXBYRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c23-21(29)20-19(24-10-11-27(20)16-4-2-1-3-5-16)22(30)25-15-6-8-17(9-7-15)26-12-13-31-14-18(26)28/h1-10H,11-14H2,(H2,23,29)(H,25,30).
What are the key properties of 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide?
5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide has a molecular weight of 419.44 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-(3-oxomorpholin-4-yl)phenyl]-1-phenyl-2H-pyrazine-5,6-dicarboxamide is sourced from PubChem (CID 90728857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).