6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid

C26H23N3O6 — CID 21074217

IUPAC6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(COc2cc(OCc3ccccc3C)cc(C(=O)Nc3ccc(C(=O)O)cn3)c2)no1
InChIInChI=1S/C26H23N3O6/c1-16-5-3-4-6-19(16)14-33-22-10-20(11-23(12-22)34-15-21-9-17(2)35-29-21)25(30)28-24-8-7-18(13-27-24)26(31)32/h3-13H,14-15H2,1-2H3,(H,31,32)(H,27,28,30)
InChIKeyQWRVWWSFSSUJLO-UHFFFAOYSA-N
MW473.49 g/mol
LogP4.79
Rot. Bonds9

About 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid

6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid (PubChem CID 21074217) has the molecular formula C26H23N3O6 and a molecular weight of 473.49 g/mol. Its IUPAC name is 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
PubChem CID21074217
Molecular FormulaC26H23N3O6
Molecular Weight473.49 g/mol
Exact Mass473.16
IUPAC Name6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid
SMILESCc1cc(COc2cc(OCc3ccccc3C)cc(C(=O)Nc3ccc(C(=O)O)cn3)c2)no1
InChIInChI=1S/C26H23N3O6/c1-16-5-3-4-6-19(16)14-33-22-10-20(11-23(12-22)34-15-21-9-17(2)35-29-21)25(30)28-24-8-7-18(13-27-24)26(31)32/h3-13H,14-15H2,1-2H3,(H,31,32)(H,27,28,30)
InChIKeyQWRVWWSFSSUJLO-UHFFFAOYSA-N
XLogP4.79
TPSA123.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-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 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid (CID 21074217) is 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid is Cc1cc(COc2cc(OCc3ccccc3C)cc(C(=O)Nc3ccc(C(=O)O)cn3)c2)no1.
What is the InChIKey of 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is QWRVWWSFSSUJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O6/c1-16-5-3-4-6-19(16)14-33-22-10-20(11-23(12-22)34-15-21-9-17(2)35-29-21)25(30)28-24-8-7-18(13-27-24)26(31)32/h3-13H,14-15H2,1-2H3,(H,31,32)(H,27,28,30).
What are the key properties of 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid?
6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 473.49 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]-5-[(2-methylphenyl)methoxy]benzoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 21074217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).