6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid

C16H17N3O3 — CID 77093018

IUPAC6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(-c2cccc(CN3CCOCC3)c2)n1
InChIInChI=1S/C16H17N3O3/c20-16(21)15-10-17-9-14(18-15)13-3-1-2-12(8-13)11-19-4-6-22-7-5-19/h1-3,8-10H,4-7,11H2,(H,20,21)
InChIKeyISJJTFVFCYURHF-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.67
Rot. Bonds4

About 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid

6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid (PubChem CID 77093018) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid
PubChem CID77093018
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cncc(-c2cccc(CN3CCOCC3)c2)n1
InChIInChI=1S/C16H17N3O3/c20-16(21)15-10-17-9-14(18-15)13-3-1-2-12(8-13)11-19-4-6-22-7-5-19/h1-3,8-10H,4-7,11H2,(H,20,21)
InChIKeyISJJTFVFCYURHF-UHFFFAOYSA-N
XLogP1.67
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid?
The IUPAC name of 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid (CID 77093018) is 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid is O=C(O)c1cncc(-c2cccc(CN3CCOCC3)c2)n1.
What is the InChIKey of 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid?
The InChIKey is ISJJTFVFCYURHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(21)15-10-17-9-14(18-15)13-3-1-2-12(8-13)11-19-4-6-22-7-5-19/h1-3,8-10H,4-7,11H2,(H,20,21).
What are the key properties of 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid?
6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid has a molecular weight of 299.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(morpholin-4-ylmethyl)phenyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 77093018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).