5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid

C12H18N4O4 — CID 122052812

IUPAC5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid
SMILESCOCCCNC(=O)CN(C)c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-16(8-11(17)13-4-3-5-20-2)10-7-14-9(6-15-10)12(18)19/h6-7H,3-5,8H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyUAQKTQFPZNZOAZ-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.24
Rot. Bonds8

About 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid

5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid (PubChem CID 122052812) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid
PubChem CID122052812
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid
SMILESCOCCCNC(=O)CN(C)c1cnc(C(=O)O)cn1
InChIInChI=1S/C12H18N4O4/c1-16(8-11(17)13-4-3-5-20-2)10-7-14-9(6-15-10)12(18)19/h6-7H,3-5,8H2,1-2H3,(H,13,17)(H,18,19)
InChIKeyUAQKTQFPZNZOAZ-UHFFFAOYSA-N
XLogP-0.24
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.24
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-[(5-aminopyrazin-2-yl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80652005
5-[2-(3-methoxypropoxy)ethyl-methylamino]pyrazine-2-carboxylic acid
CID 122054723
2-[(7-fluoroquinolin-2-yl)-methylamino]-N-(3-methoxypropyl)acetamide
CID 71871271
methyl 5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyrazine-2-carboxylate
CID 103772153
2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80638047
1-[2-(3-methoxypropylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19624167
N-(2-methoxyethyl)-2-[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80632056
5-(4-methoxybutylcarbamoyl)pyridine-2-carboxylic acid
CID 60769978
2-(5-amino-2-pyridinyl)-N-(3-methoxypropyl)acetamide
CID 107337559
6-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]-5-methylpyridine-3-carboxylic acid
CID 80632539
2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide
CID 75430959
2-[(6-carbamothioyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 64587464

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid (CID 122052812) is 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid is COCCCNC(=O)CN(C)c1cnc(C(=O)O)cn1.
What is the InChIKey of 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid?
The InChIKey is UAQKTQFPZNZOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-16(8-11(17)13-4-3-5-20-2)10-7-14-9(6-15-10)12(18)19/h6-7H,3-5,8H2,1-2H3,(H,13,17)(H,18,19).
What are the key properties of 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid?
5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122052812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).