3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid

C13H18N4O4 — CID 22310200

IUPAC3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H18N4O4/c18-12(10-11(13(19)20)15-4-3-14-10)16-2-1-5-17-6-8-21-9-7-17/h3-4H,1-2,5-9H2,(H,16,18)(H,19,20)
InChIKeyMPBHKXGCIGGAEJ-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.37
Rot. Bonds6

About 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid

3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid (PubChem CID 22310200) has the molecular formula C13H18N4O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid
PubChem CID22310200
Molecular FormulaC13H18N4O4
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H18N4O4/c18-12(10-11(13(19)20)15-4-3-14-10)16-2-1-5-17-6-8-21-9-7-17/h3-4H,1-2,5-9H2,(H,16,18)(H,19,20)
InChIKeyMPBHKXGCIGGAEJ-UHFFFAOYSA-N
XLogP-0.37
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid (CID 22310200) is 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid?
The InChIKey is MPBHKXGCIGGAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O4/c18-12(10-11(13(19)20)15-4-3-14-10)16-2-1-5-17-6-8-21-9-7-17/h3-4H,1-2,5-9H2,(H,16,18)(H,19,20).
What are the key properties of 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid?
3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropylcarbamoyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 22310200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).