2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

C15H14N6O4 — CID 70741018

IUPAC2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCc1nonc1OCCNc1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C15H14N6O4/c1-9-13(21-25-20-9)24-7-6-18-15-17-5-3-11(19-15)12-8-10(14(22)23)2-4-16-12/h2-5,8H,6-7H2,1H3,(H,22,23)(H,17,18,19)
InChIKeyXHLYMBLABRVOAA-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.42
Rot. Bonds7

About 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 70741018) has the molecular formula C15H14N6O4 and a molecular weight of 342.32 g/mol. Its IUPAC name is 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID70741018
Molecular FormulaC15H14N6O4
Molecular Weight342.32 g/mol
Exact Mass342.11
IUPAC Name2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESCc1nonc1OCCNc1nccc(-c2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C15H14N6O4/c1-9-13(21-25-20-9)24-7-6-18-15-17-5-3-11(19-15)12-8-10(14(22)23)2-4-16-12/h2-5,8H,6-7H2,1H3,(H,22,23)(H,17,18,19)
InChIKeyXHLYMBLABRVOAA-UHFFFAOYSA-N
XLogP1.42
TPSA136.15 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 70741018) is 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is Cc1nonc1OCCNc1nccc(-c2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is XHLYMBLABRVOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O4/c1-9-13(21-25-20-9)24-7-6-18-15-17-5-3-11(19-15)12-8-10(14(22)23)2-4-16-12/h2-5,8H,6-7H2,1H3,(H,22,23)(H,17,18,19).
What are the key properties of 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 342.32 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 70741018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).