2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid

C19H14N2O4 — CID 11209825

IUPAC2-[(3-pyridin-4-yloxybenzoyl)amino]benzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)OC3=CC=NC=C3
InChIInChI=1S/C19H14N2O4/c22-18(21-17-7-2-1-6-16(17)19(23)24)13-4-3-5-15(12-13)25-14-8-10-20-11-9-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyYATZGUOENCNURV-UHFFFAOYSA-N
MW334.30 g/mol
LogP4.00
Rot. Bonds5

About 2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid

2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid (PubChem CID 11209825) has the molecular formula C19H14N2O4 and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-[(3-pyridin-4-yloxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid
PubChem CID11209825
Molecular FormulaC19H14N2O4
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name2-[(3-pyridin-4-yloxybenzoyl)amino]benzoic acid
SMILESC1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)OC3=CC=NC=C3
InChIInChI=1S/C19H14N2O4/c22-18(21-17-7-2-1-6-16(17)19(23)24)13-4-3-5-15(12-13)25-14-8-10-20-11-9-14/h1-12H,(H,21,22)(H,23,24)
InChIKeyYATZGUOENCNURV-UHFFFAOYSA-N
XLogP4.00
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity464

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid?
The IUPAC name of 2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid (CID 11209825) is 2-[(3-pyridin-4-yloxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid?
The canonical SMILES for 2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid is C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=CC(=CC=C2)OC3=CC=NC=C3.
What is the InChIKey of 2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid?
The InChIKey is YATZGUOENCNURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-18(21-17-7-2-1-6-16(17)19(23)24)13-4-3-5-15(12-13)25-14-8-10-20-11-9-14/h1-12H,(H,21,22)(H,23,24).
What are the key properties of 2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid?
2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid has a molecular weight of 334.30 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(Pyridin-4-yloxy)benzoylamino]benzoic acid is sourced from PubChem (CID 11209825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).