sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate

C23H15N2NaO5 — CID 58508944

IUPACsodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate
SMILESO=C(Nc1cc(-c2ccoc2)ccc1C(=O)[O-])c1cc(-c2cccnc2)ccc1O.[Na+]
InChIInChI=1S/C23H16N2O5.Na/c26-21-6-4-14(16-2-1-8-24-12-16)10-19(21)22(27)25-20-11-15(17-7-9-30-13-17)3-5-18(20)23(28)29;/h1-13,26H,(H,25,27)(H,28,29);/q;+1/p-1
InChIKeyNHXORLDHWLIIRP-UHFFFAOYSA-M
MW422.37 g/mol
LogP0.33
Rot. Bonds5

About sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate

sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate (PubChem CID 58508944) has the molecular formula C23H15N2NaO5 and a molecular weight of 422.37 g/mol. Its IUPAC name is sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namesodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate
PubChem CID58508944
Molecular FormulaC23H15N2NaO5
Molecular Weight422.37 g/mol
Exact Mass422.09
IUPAC Namesodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate
SMILESO=C(Nc1cc(-c2ccoc2)ccc1C(=O)[O-])c1cc(-c2cccnc2)ccc1O.[Na+]
InChIInChI=1S/C23H16N2O5.Na/c26-21-6-4-14(16-2-1-8-24-12-16)10-19(21)22(27)25-20-11-15(17-7-9-30-13-17)3-5-18(20)23(28)29;/h1-13,26H,(H,25,27)(H,28,29);/q;+1/p-1
InChIKeyNHXORLDHWLIIRP-UHFFFAOYSA-M
XLogP0.33
TPSA115.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508541
N-[5-(furan-2-yl)-2-methylphenyl]-2-hydroxy-5-pyridin-3-ylbenzamide
CID 70668755
tert-butyl 2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]-4-phenylbenzoate
CID 58508644
1-(2-hydroxy-5-pyridin-3-ylphenyl)ethanone
CID 148842399
N-(2-hydroxyphenyl)-4-pyridin-3-ylbenzamide
CID 59672983
2,5-dihydroxy-N-pyridin-3-ylbenzamide
CID 113347059
N-(2-hydroxyphenyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 39889991
N-(2-hydroxyphenyl)-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 167900619
2-[(2-hydroxy-5-phenoxybenzoyl)amino]-4-phenylbenzoic acid
CID 58508485
8-hydroxy-2-oxo-N-(3-pyridin-3-ylphenyl)chromene-3-carboxamide
CID 86650366
(2-borono-5-pyridin-3-ylphenyl)carbamic acid
CID 175306563
sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 173036826

Frequently Asked Questions

What is the IUPAC name of sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate?
The IUPAC name of sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate (CID 58508944) is sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate.
What is the SMILES notation for sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate?
The canonical SMILES for sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate is O=C(Nc1cc(-c2ccoc2)ccc1C(=O)[O-])c1cc(-c2cccnc2)ccc1O.[Na+].
What is the InChIKey of sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate?
The InChIKey is NHXORLDHWLIIRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H16N2O5.Na/c26-21-6-4-14(16-2-1-8-24-12-16)10-19(21)22(27)25-20-11-15(17-7-9-30-13-17)3-5-18(20)23(28)29;/h1-13,26H,(H,25,27)(H,28,29);/q;+1/p-1.
What are the key properties of sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate?
sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate has a molecular weight of 422.37 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate is sourced from PubChem (CID 58508944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).