5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid

C13H17N3O5 — CID 120689125

IUPAC5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCCCOC2CCOC2)cn1
InChIInChI=1S/C13H17N3O5/c17-12(10-6-16-11(7-15-10)13(18)19)14-3-1-4-21-9-2-5-20-8-9/h6-7,9H,1-5,8H2,(H,14,17)(H,18,19)
InChIKeyHMVZJUVGLDLWLD-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.10
Rot. Bonds7

About 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid

5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid (PubChem CID 120689125) has the molecular formula C13H17N3O5 and a molecular weight of 295.29 g/mol. Its IUPAC name is 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid
PubChem CID120689125
Molecular FormulaC13H17N3O5
Molecular Weight295.29 g/mol
Exact Mass295.12
IUPAC Name5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(C(=O)NCCCOC2CCOC2)cn1
InChIInChI=1S/C13H17N3O5/c17-12(10-6-16-11(7-15-10)13(18)19)14-3-1-4-21-9-2-5-20-8-9/h6-7,9H,1-5,8H2,(H,14,17)(H,18,19)
InChIKeyHMVZJUVGLDLWLD-UHFFFAOYSA-N
XLogP0.10
TPSA110.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.10
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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Related Compounds

2-[3-(oxan-4-yloxy)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055811
5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120695954
4-[3-(oxolan-3-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674287
5-(3-cyclohexylpropylcarbamoyl)pyrazine-2-carboxylic acid
CID 120685018
5-[3-(oxolan-3-ylmethoxy)propylamino]pyrazine-2-carboxylic acid
CID 122053930
2-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]propanamide;hydrochloride
CID 119340219
(2S)-2-amino-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119340221
3-amino-2-methyl-N-[3-(oxolan-3-yloxy)propyl]-3-phenylpropanamide
CID 119812709
2-[3-(oxan-4-yloxy)propylamino]pyrimidine-4-carboxylic acid
CID 166331121
N-[3-(oxolan-3-yloxy)propyl]piperidine-3-carboxamide
CID 119340232
3-chloro-4-[2-(oxolan-3-yloxy)ethylcarbamoyl]benzoic acid
CID 154845536
2-amino-3-methyl-N-[3-(oxolan-3-yloxy)propyl]pentanamide
CID 119812727

Frequently Asked Questions

What is the IUPAC name of 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid (CID 120689125) is 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(C(=O)NCCCOC2CCOC2)cn1.
What is the InChIKey of 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid?
The InChIKey is HMVZJUVGLDLWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c17-12(10-6-16-11(7-15-10)13(18)19)14-3-1-4-21-9-2-5-20-8-9/h6-7,9H,1-5,8H2,(H,14,17)(H,18,19).
What are the key properties of 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid?
5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(oxolan-3-yloxy)propylcarbamoyl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 120689125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).