2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid

C15H16N2O4 — CID 167839939

IUPAC2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid
SMILESCCCOc1cncc(-c2ccn(CC(=O)O)c(=O)c2)c1
InChIInChI=1S/C15H16N2O4/c1-2-5-21-13-6-12(8-16-9-13)11-3-4-17(10-15(19)20)14(18)7-11/h3-4,6-9H,2,5,10H2,1H3,(H,19,20)
InChIKeyJNWMWSHIYXRAAW-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.78
Rot. Bonds6

About 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid

2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid (PubChem CID 167839939) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid
PubChem CID167839939
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid
SMILESCCCOc1cncc(-c2ccn(CC(=O)O)c(=O)c2)c1
InChIInChI=1S/C15H16N2O4/c1-2-5-21-13-6-12(8-16-9-13)11-3-4-17(10-15(19)20)14(18)7-11/h3-4,6-9H,2,5,10H2,1H3,(H,19,20)
InChIKeyJNWMWSHIYXRAAW-UHFFFAOYSA-N
XLogP1.78
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid (CID 167839939) is 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid is CCCOc1cncc(-c2ccn(CC(=O)O)c(=O)c2)c1.
What is the InChIKey of 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid?
The InChIKey is JNWMWSHIYXRAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-2-5-21-13-6-12(8-16-9-13)11-3-4-17(10-15(19)20)14(18)7-11/h3-4,6-9H,2,5,10H2,1H3,(H,19,20).
What are the key properties of 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid?
2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid has a molecular weight of 288.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-4-(5-propoxy-3-pyridinyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 167839939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).