sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid

C22H17N4NaO3 — CID 173036791

IUPACsodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid
SMILESO=C(Nc1cc(-n2cccn2)ccc1C(=O)O)c1cncc(-c2ccccc2)c1.[H-].[Na+]
InChIInChI=1S/C22H16N4O3.Na.H/c27-21(17-11-16(13-23-14-17)15-5-2-1-3-6-15)25-20-12-18(26-10-4-9-24-26)7-8-19(20)22(28)29;;/h1-14H,(H,25,27)(H,28,29);;/q;+1;-1
InChIKeyMZULYOGMRVMANJ-UHFFFAOYSA-N
MW408.39 g/mol
LogP1.00
Rot. Bonds5

About sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid

sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid (PubChem CID 173036791) has the molecular formula C22H17N4NaO3 and a molecular weight of 408.39 g/mol. Its IUPAC name is sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid.

Molecular Properties

Compound Namesodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid
PubChem CID173036791
Molecular FormulaC22H17N4NaO3
Molecular Weight408.39 g/mol
Exact Mass408.12
IUPAC Namesodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid
SMILESO=C(Nc1cc(-n2cccn2)ccc1C(=O)O)c1cncc(-c2ccccc2)c1.[H-].[Na+]
InChIInChI=1S/C22H16N4O3.Na.H/c27-21(17-11-16(13-23-14-17)15-5-2-1-3-6-15)25-20-12-18(26-10-4-9-24-26)7-8-19(20)22(28)29;;/h1-14H,(H,25,27)(H,28,29);;/q;+1;-1
InChIKeyMZULYOGMRVMANJ-UHFFFAOYSA-N
XLogP1.00
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

sodium;hydride;4-phenyl-2-[(5-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 173036826
sodium;4-[2-[ethyl(methyl)amino]phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid;hydride
CID 173036822
4-[3-(dimethylamino)phenyl]-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 66990541
4-(oxolan-2-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoic acid
CID 58508839
N,5-diphenylpyridine-3-carboxamide
CID 110683714
N-(2-bromophenyl)-5-phenylpyridine-3-carboxamide
CID 99705381
4-phenyl-2-(3-pyrazol-1-ylanilino)benzoic acid
CID 68959231
sodium 4-(furan-3-yl)-2-[(5-phenylpyridine-3-carbonyl)amino]benzoate
CID 58508541
N-(1,5-dimethyl-2-oxo-3-pyridinyl)-5-phenylpyridine-3-carboxamide
CID 154801805
4-phenyl-2-[(6-pyridin-4-ylpyridine-3-carbonyl)amino]benzoic acid
CID 58508716
2-[(5-bromopyridine-3-carbonyl)amino]benzoic acid
CID 805036
N-methyl-2-[(4-pyrazol-1-ylbenzoyl)amino]benzamide
CID 43020845

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid?
The IUPAC name of sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid (CID 173036791) is sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid.
What is the SMILES notation for sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid?
The canonical SMILES for sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid is O=C(Nc1cc(-n2cccn2)ccc1C(=O)O)c1cncc(-c2ccccc2)c1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid?
The InChIKey is MZULYOGMRVMANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O3.Na.H/c27-21(17-11-16(13-23-14-17)15-5-2-1-3-6-15)25-20-12-18(26-10-4-9-24-26)7-8-19(20)22(28)29;;/h1-14H,(H,25,27)(H,28,29);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid?
sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid has a molecular weight of 408.39 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[(5-phenylpyridine-3-carbonyl)amino]-4-pyrazol-1-ylbenzoic acid is sourced from PubChem (CID 173036791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).