4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid

C12H15N3O5 — CID 115438340

IUPAC4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O5/c16-9-6-13-8(5-14-9)10(17)15-7-12(11(18)19)1-3-20-4-2-12/h5-6H,1-4,7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyDHXGKLMXRGDKQA-UHFFFAOYSA-N
MW281.27 g/mol
LogP-0.62
Rot. Bonds4

About 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid

4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 115438340) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID115438340
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCOCC1)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H15N3O5/c16-9-6-13-8(5-14-9)10(17)15-7-12(11(18)19)1-3-20-4-2-12/h5-6H,1-4,7H2,(H,14,16)(H,15,17)(H,18,19)
InChIKeyDHXGKLMXRGDKQA-UHFFFAOYSA-N
XLogP-0.62
TPSA121.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-amino-1,3-thiazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115439957
N-[(1-benzylcyclobutyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 71853800
4-[[(4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438507
4-[[(3-bromopyridine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 107517226
4-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542668
1-[[(5-methylpyrazine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362499
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 65124084
4-[[[2-(6-methyl-3-pyridinyl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120541563
2-[[2-[(6-oxo-1H-pyrazine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 43465507
4-[[[6-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542907
4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120543379
4-[(1H-indole-5-carbonylamino)methyl]oxane-4-carboxylic acid
CID 120542937

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid (CID 115438340) is 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid is O=C(NCC1(C(=O)O)CCOCC1)c1c[nH]c(=O)cn1.
What is the InChIKey of 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is DHXGKLMXRGDKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-6-13-8(5-14-9)10(17)15-7-12(11(18)19)1-3-20-4-2-12/h5-6H,1-4,7H2,(H,14,16)(H,15,17)(H,18,19).
What are the key properties of 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid?
4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-oxo-1H-pyrazine-3-carbonyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 115438340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).