sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride

C28H26N3NaO3 — CID 173036822

About sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride

sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride (PubChem CID 173036822) has the molecular formula C28H26N3NaO3 and a molecular weight of 475.52 g/mol. Its IUPAC name is sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride.

Molecular Properties

• Compound Name: sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride
• PubChem CID: 173036822
• Molecular Formula: C28H26N3NaO3
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.19
• IUPAC Name: sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride
• SMILES: CCN(C)c1ccccc1-c1ccc(C(=O)O)c(NC(=O)c2cncc(-c3ccccc3)c2)c1.[H-].[Na+]
• InChI: InChI=1S/C28H25N3O3.Na.H/c1-3-31(2)26-12-8-7-11-23(26)20-13-14-24(28(33)34)25(16-20)30-27(32)22-15-21(17-29-18-22)19-9-5-4-6-10-19;;/h4-18H,3H2,1-2H3,(H,30,32)(H,33,34);;/q;+1;-1
• InChIKey: UPLDYSNLBRPYMA-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 82.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride?

The IUPAC name of sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride (CID 173036822) is sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride.

What is the SMILES notation for sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride?

The canonical SMILES for sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride is CCN(C)c1ccccc1-c1ccc(C(=O)O)c(NC(=O)c2cncc(-c3ccccc3)c2)c1.[H-].[Na+].

What is the InChIKey of sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride?

The InChIKey is UPLDYSNLBRPYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3.Na.H/c1-3-31(2)26-12-8-7-11-23(26)20-13-14-24(28(33)34)25(16-20)30-27(32)22-15-21(17-29-18-22)19-9-5-4-6-10-19;;/h4-18H,3H2,1-2H3,(H,30,32)(H,33,34);;/q;+1;-1.

What are the key properties of sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride?

sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride has a molecular weight of 475.52 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride is sourced from PubChem (CID 173036822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).