sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate

C23H15N2NaO4 — CID 58508541

IUPACsodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
SMILESO=C(Nc1cc(-c2ccoc2)ccc1C(=O)[O-])c1cncc(-c2ccccc2)c1.[Na+]
InChIInChI=1S/C23H16N2O4.Na/c26-22(19-10-18(12-24-13-19)15-4-2-1-3-5-15)25-21-11-16(17-8-9-29-14-17)6-7-20(21)23(27)28;/h1-14H,(H,25,26)(H,27,28);/q;+1/p-1
InChIKeyMIYAQBNSNGEGKK-UHFFFAOYSA-M
MW406.37 g/mol
LogP0.63
Rot. Bonds5

About sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate

sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate (PubChem CID 58508541) has the molecular formula C23H15N2NaO4 and a molecular weight of 406.37 g/mol. Its IUPAC name is sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namesodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
PubChem CID58508541
Molecular FormulaC23H15N2NaO4
Molecular Weight406.37 g/mol
Exact Mass406.09
IUPAC Namesodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
SMILESO=C(Nc1cc(-c2ccoc2)ccc1C(=O)[O-])c1cncc(-c2ccccc2)c1.[Na+]
InChIInChI=1S/C23H16N2O4.Na/c26-22(19-10-18(12-24-13-19)15-4-2-1-3-5-15)25-21-11-16(17-8-9-29-14-17)6-7-20(21)23(27)28;/h1-14H,(H,25,26)(H,27,28);/q;+1/p-1
InChIKeyMIYAQBNSNGEGKK-UHFFFAOYSA-M
XLogP0.63
TPSA95.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 4-(furan-3-yl)-2-[(2-hydroxy-5-pyridin-3-ylbenzoyl)amino]benzoate
CID 58508944
sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 173036826
4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 66990541
4-tert-butylmorpholin-4-ium;2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 142764670
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid
CID 173036791
4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 58508839
sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride
CID 173036822
N-(5-chloro-2-cyanophenyl)-5-phenylpyridine-3-carboxamide;N-(2-cyano-5-phenylphenyl)-5-phenylpyridine-3-carboxamide
CID 159869900
tert-butyl 4-(2-fluorophenyl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508706
N-(1,5-dimethyl-2-oxo-3-pyridinyl)-5-phenylpyridine-3-carboxamide
CID 154801805

Frequently Asked Questions

What is the IUPAC name of sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate?
The IUPAC name of sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate (CID 58508541) is sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate is O=C(Nc1cc(-c2ccoc2)ccc1C(=O)[O-])c1cncc(-c2ccccc2)c1.[Na+].
What is the InChIKey of sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate?
The InChIKey is MIYAQBNSNGEGKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H16N2O4.Na/c26-22(19-10-18(12-24-13-19)15-4-2-1-3-5-15)25-21-11-16(17-8-9-29-14-17)6-7-20(21)23(27)28;/h1-14H,(H,25,26)(H,27,28);/q;+1/p-1.
What are the key properties of sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate?
sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate has a molecular weight of 406.37 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 58508541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).