4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid

C21H18N2O5 — CID 11327474

IUPAC4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid
SMILESCOc1ccccc1COc1ccc(C(=O)O)cc1NC(=O)c1ccncc1
InChIInChI=1S/C21H18N2O5/c1-27-18-5-3-2-4-16(18)13-28-19-7-6-15(21(25)26)12-17(19)23-20(24)14-8-10-22-11-9-14/h2-12H,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyQAVROPQIGIDNEX-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.62
Rot. Bonds7

About 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid

4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid (PubChem CID 11327474) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid
PubChem CID11327474
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid
SMILESCOc1ccccc1COc1ccc(C(=O)O)cc1NC(=O)c1ccncc1
InChIInChI=1S/C21H18N2O5/c1-27-18-5-3-2-4-16(18)13-28-19-7-6-15(21(25)26)12-17(19)23-20(24)14-8-10-22-11-9-14/h2-12H,13H2,1H3,(H,23,24)(H,25,26)
InChIKeyQAVROPQIGIDNEX-UHFFFAOYSA-N
XLogP3.62
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid?
The IUPAC name of 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid (CID 11327474) is 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid?
The canonical SMILES for 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid is COc1ccccc1COc1ccc(C(=O)O)cc1NC(=O)c1ccncc1.
What is the InChIKey of 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid?
The InChIKey is QAVROPQIGIDNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-27-18-5-3-2-4-16(18)13-28-19-7-6-15(21(25)26)12-17(19)23-20(24)14-8-10-22-11-9-14/h2-12H,13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid?
4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid has a molecular weight of 378.38 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methoxy]-3-(pyridine-4-carbonylamino)benzoic acid is sourced from PubChem (CID 11327474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).