5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid

C14H15N3O4 — CID 63852066

IUPAC5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid
SMILESCC(C)Cn1ccnc(Oc2cncc(C(=O)O)c2)c1=O
InChIInChI=1S/C14H15N3O4/c1-9(2)8-17-4-3-16-12(13(17)18)21-11-5-10(14(19)20)6-15-7-11/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyOFHIPIQVFNQVRZ-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.78
Rot. Bonds5

About 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid

5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid (PubChem CID 63852066) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid
PubChem CID63852066
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid
SMILESCC(C)Cn1ccnc(Oc2cncc(C(=O)O)c2)c1=O
InChIInChI=1S/C14H15N3O4/c1-9(2)8-17-4-3-16-12(13(17)18)21-11-5-10(14(19)20)6-15-7-11/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyOFHIPIQVFNQVRZ-UHFFFAOYSA-N
XLogP1.78
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid?
The IUPAC name of 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid (CID 63852066) is 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid.
What is the SMILES notation for 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid?
The canonical SMILES for 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid is CC(C)Cn1ccnc(Oc2cncc(C(=O)O)c2)c1=O.
What is the InChIKey of 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid?
The InChIKey is OFHIPIQVFNQVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(2)8-17-4-3-16-12(13(17)18)21-11-5-10(14(19)20)6-15-7-11/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid?
5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]oxypyridine-3-carboxylic acid is sourced from PubChem (CID 63852066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).