2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid

C25H18N2O4 — CID 11464013

IUPAC2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2cccnc2)c(Oc2ccccc2)c1
InChIInChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30)
InChIKeyVODIANKEFLCLNL-UHFFFAOYSA-N
MW410.43 g/mol
LogP5.49
Rot. Bonds6

About 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid

2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid (PubChem CID 11464013) has the molecular formula C25H18N2O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid
PubChem CID11464013
Molecular FormulaC25H18N2O4
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC Name2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(-c2cccnc2)c(Oc2ccccc2)c1
InChIInChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30)
InChIKeyVODIANKEFLCLNL-UHFFFAOYSA-N
XLogP5.49
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.43
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-{3-[4-(5-Hydroxypyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11617480
N-[(3-methoxyphenyl)methyl]-5H-[1]benzopyrano[3,4-c]pyridine-8-carboxamide
CID 121363591
(R)-3-(cyclohexyloxy)-4''-(2-(2-hydroxy-2-(pyridin-3-yl)ethylamino)ethyl)biphenyl-4-carboxylic acid
CID 24893964
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]-2-propan-2-yloxybenzoic acid
CID 44560792
4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]-2-propoxybenzoic acid
CID 44560793
2-cyclohexyloxy-4-[4-[(2R)-2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]propyl]phenyl]benzoic acid
CID 44560794
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5H-chromeno[3,4-c]pyridine-8-carboxamide
CID 86764444
(2,2,4-trimethyl-1H-quinolin-6-yl) pyridine-3-carboxylate
CID 2904443
2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide
CID 134823957
2-[5-[2-(3-Methoxyphenyl)ethanoylamino]-2-Oxidanyl-Phenyl]pyridine-4-Carboxylic Acid
CID 135567042
4-[4-[2-[[(2R)-2-(4-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-propan-2-yloxybenzoic acid
CID 44591506
4-[4-[2-[[(2R)-2-(4-amino-3-pyridinyl)-2-hydroxyethyl]amino]ethyl]phenyl]-2-cyclohexyloxybenzoic acid
CID 44591508

Frequently Asked Questions

What is the IUPAC name of 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid (CID 11464013) is 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(-c2cccnc2)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid?
The InChIKey is VODIANKEFLCLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O4/c28-24(27-22-11-5-4-10-21(22)25(29)30)17-12-13-20(18-7-6-14-26-16-18)23(15-17)31-19-8-2-1-3-9-19/h1-16H,(H,27,28)(H,29,30).
What are the key properties of 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid?
2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid has a molecular weight of 410.43 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxy-4-pyridin-3-ylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 11464013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).