3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid

C13H13N3O4 — CID 81443631

IUPAC3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid
SMILESCCCn1ccnc(Oc2cnccc2C(=O)O)c1=O
InChIInChI=1S/C13H13N3O4/c1-2-6-16-7-5-15-11(12(16)17)20-10-8-14-4-3-9(10)13(18)19/h3-5,7-8H,2,6H2,1H3,(H,18,19)
InChIKeyCWFFNDRPGOXQMY-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.54
Rot. Bonds5

About 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid

3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid (PubChem CID 81443631) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid
PubChem CID81443631
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid
SMILESCCCn1ccnc(Oc2cnccc2C(=O)O)c1=O
InChIInChI=1S/C13H13N3O4/c1-2-6-16-7-5-15-11(12(16)17)20-10-8-14-4-3-9(10)13(18)19/h3-5,7-8H,2,6H2,1H3,(H,18,19)
InChIKeyCWFFNDRPGOXQMY-UHFFFAOYSA-N
XLogP1.54
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-propylimidazol-4-yl)methoxy]pyridine-4-carboxylic acid
CID 81445560
2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
CID 62929919
3-(2-amino-3-methylphenoxy)-1-propylpyrazin-2-one
CID 55157571
3-[(3-fluoro-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81442880
3-[(3-carbamoyl-2-pyridinyl)oxy]pyridine-4-carboxylic acid
CID 81443048
4-(4-ethyl-3-oxopyrazin-2-yl)oxy-2-methylbenzoic acid
CID 107672576
3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one
CID 102703068
3-furo[3,2-c]pyridin-4-yloxypyridine-4-carboxylic acid
CID 106535499
3-(3-fluoropropoxy)pyridine-4-carboxylic acid
CID 81446128
3-(2-fluoropropoxy)pyridine-4-carboxylic acid
CID 84668656
3-(3-bromo-4-fluorophenoxy)-1-propylpyrazin-2-one
CID 83231253
3-(3-ethoxypropoxy)pyridine-4-carboxylic acid
CID 81446404

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid?
The IUPAC name of 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid (CID 81443631) is 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid?
The canonical SMILES for 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid is CCCn1ccnc(Oc2cnccc2C(=O)O)c1=O.
What is the InChIKey of 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid?
The InChIKey is CWFFNDRPGOXQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c1-2-6-16-7-5-15-11(12(16)17)20-10-8-14-4-3-9(10)13(18)19/h3-5,7-8H,2,6H2,1H3,(H,18,19).
What are the key properties of 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid?
3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid has a molecular weight of 275.26 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid is sourced from PubChem (CID 81443631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).