sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid

C24H18N3NaO3 — CID 173036826

IUPACsodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cncc(-c2ccncc2)c1.[H-].[Na+]
InChIInChI=1S/C24H17N3O3.Na.H/c28-23(20-12-19(14-26-15-20)17-8-10-25-11-9-17)27-22-13-18(6-7-21(22)24(29)30)16-4-2-1-3-5-16;;/h1-15H,(H,27,28)(H,29,30);;/q;+1;-1
InChIKeyNWFDYZBKZUVIHM-UHFFFAOYSA-N
MW419.42 g/mol
LogP1.88
Rot. Bonds5

About sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid

sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid (PubChem CID 173036826) has the molecular formula C24H18N3NaO3 and a molecular weight of 419.42 g/mol. Its IUPAC name is sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Namesodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
PubChem CID173036826
Molecular FormulaC24H18N3NaO3
Molecular Weight419.42 g/mol
Exact Mass419.12
IUPAC Namesodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
SMILESO=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cncc(-c2ccncc2)c1.[H-].[Na+]
InChIInChI=1S/C24H17N3O3.Na.H/c28-23(20-12-19(14-26-15-20)17-8-10-25-11-9-17)27-22-13-18(6-7-21(22)24(29)30)16-4-2-1-3-5-16;;/h1-15H,(H,27,28)(H,29,30);;/q;+1;-1
InChIKeyNWFDYZBKZUVIHM-UHFFFAOYSA-N
XLogP1.88
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 66990541
4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 58508716
sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid
CID 173036791
sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride
CID 173036822
sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508541
4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 58508839
N,5-diphenylpyridine-3-carboxamide
CID 110683714
2-[(2-carboxybenzoyl)amino]-4-phenylbenzoic acid
CID 167346908
2-[(6-chloropyridine-3-carbonyl)amino]-4-phenylbenzoic acid
CID 87408033
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
2-[(2-hydroxy-4-pyrimidin-2-ylbenzoyl)amino]-4-phenylbenzoic acid
CID 66990128
N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide
CID 159869900

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid?
The IUPAC name of sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid (CID 173036826) is sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid?
The canonical SMILES for sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid is O=C(Nc1cc(-c2ccccc2)ccc1C(=O)O)c1cncc(-c2ccncc2)c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid?
The InChIKey is NWFDYZBKZUVIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3.Na.H/c28-23(20-12-19(14-26-15-20)17-8-10-25-11-9-17)27-22-13-18(6-7-21(22)24(29)30)16-4-2-1-3-5-16;;/h1-15H,(H,27,28)(H,29,30);;/q;+1;-1.
What are the key properties of sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid?
sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid has a molecular weight of 419.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 173036826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).