N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide

C17H20N4O4 — CID 109276688

IUPACN-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(N3CCOCC3)cn2)c1
InChIInChI=1S/C17H20N4O4/c1-23-12-3-4-15(24-2)13(9-12)20-17(22)14-10-19-16(11-18-14)21-5-7-25-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,20,22)
InChIKeyPWDBOXUZKAOTJE-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.58
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide

N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide (PubChem CID 109276688) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide
PubChem CID109276688
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide
SMILESCOc1ccc(OC)c(NC(=O)c2cnc(N3CCOCC3)cn2)c1
InChIInChI=1S/C17H20N4O4/c1-23-12-3-4-15(24-2)13(9-12)20-17(22)14-10-19-16(11-18-14)21-5-7-25-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,20,22)
InChIKeyPWDBOXUZKAOTJE-UHFFFAOYSA-N
XLogP1.58
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide (CID 109276688) is N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide is COc1ccc(OC)c(NC(=O)c2cnc(N3CCOCC3)cn2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide?
The InChIKey is PWDBOXUZKAOTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-23-12-3-4-15(24-2)13(9-12)20-17(22)14-10-19-16(11-18-14)21-5-7-25-8-6-21/h3-4,9-11H,5-8H2,1-2H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide?
N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5-morpholin-4-ylpyrazine-2-carboxamide is sourced from PubChem (CID 109276688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).