4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid

C24H17N3O3 — CID 58508716

IUPAC4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(-c2ccncc2)nc1
InChIInChI=1S/C24H17N3O3/c28-23(19-7-9-21(26-15-19)17-10-12-25-13-11-17)27-22-14-18(6-8-20(22)24(29)30)16-4-2-1-3-5-16/h1-15H,(H,27,28)(H,29,30)
InChIKeyHQHIUNDFFZGTOK-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.76
Rot. Bonds5

About 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid

4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 58508716) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID58508716
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC Name4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(-c2ccncc2)nc1
InChIInChI=1S/C24H17N3O3/c28-23(19-7-9-21(26-15-19)17-10-12-25-13-11-17)27-22-14-18(6-8-20(22)24(29)30)16-4-2-1-3-5-16/h1-15H,(H,27,28)(H,29,30)
InChIKeyHQHIUNDFFZGTOK-UHFFFAOYSA-N
XLogP4.76
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 173036826
N-phenyl-6-pyridin-4-ylpyridine-3-carboxamide
CID 174640985
2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 66990128
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
4-phenyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]benzoic acid
CID 67343979
2-[(3-methylpyridine-2-carbonyl)amino]-4-phenylbenzoic acid
CID 67343058
4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 66990541
N-(1,3-dimethylpyrazol-4-yl)-6-pyridin-4-ylpyridine-3-carboxamide
CID 166318066
4-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzoic acid
CID 67344510
6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421562
2-benzamido-4-(3,4-difluorophenyl)benzoic acid
CID 67342195

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid (CID 58508716) is 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid is O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1ccc(-c2ccncc2)nc1.
What is the InChIKey of 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is HQHIUNDFFZGTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-23(19-7-9-21(26-15-19)17-10-12-25-13-11-17)27-22-14-18(6-8-20(22)24(29)30)16-4-2-1-3-5-16/h1-15H,(H,27,28)(H,29,30).
What are the key properties of 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid?
4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 395.42 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 58508716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).