butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate

C23H22N2O4 — CID 66497900

IUPACbutyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C23H22N2O4/c1-2-3-15-29-23(28)17-9-11-18(12-10-17)24-21(26)19-13-14-20(25-22(19)27)16-7-5-4-6-8-16/h4-14H,2-3,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXFDJEVNUGSTFMO-UHFFFAOYSA-N
MW390.44 g/mol
LogP4.25
Rot. Bonds7

About butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate

butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate (PubChem CID 66497900) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
PubChem CID66497900
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Namebutyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1
InChIInChI=1S/C23H22N2O4/c1-2-3-15-29-23(28)17-9-11-18(12-10-17)24-21(26)19-13-14-20(25-22(19)27)16-7-5-4-6-8-16/h4-14H,2-3,15H2,1H3,(H,24,26)(H,25,27)
InChIKeyXFDJEVNUGSTFMO-UHFFFAOYSA-N
XLogP4.25
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497881
butyl 4-[(2-methyl-5-phenylfuran-3-carbonyl)amino]benzoate
CID 16650686
butyl 4-[(2,4-difluorobenzoyl)amino]benzoate
CID 7760837
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
pentyl 4-(naphthalene-1-carbonylamino)benzoate
CID 19203532
2-[(4-hexoxycarbonylphenyl)carbamoyl]benzoate
CID 3544823
2-oxo-6-phenyl-1H-pyridine-3-carbohydrazide
CID 82521335
1,1'-biphenyl;butyl benzoate
CID 67401065
butyl 4-[(2-chloro-5-iodobenzoyl)amino]benzoate
CID 2298823
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
butyl 4-[(4-iodobenzoyl)amino]benzoate
CID 2164958
butyl 4-[[2-methyl-5-(4-methylphenyl)furan-3-carbonyl]amino]benzoate
CID 16650811

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate?
The IUPAC name of butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate (CID 66497900) is butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cc1.
What is the InChIKey of butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate?
The InChIKey is XFDJEVNUGSTFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-2-3-15-29-23(28)17-9-11-18(12-10-17)24-21(26)19-13-14-20(25-22(19)27)16-7-5-4-6-8-16/h4-14H,2-3,15H2,1H3,(H,24,26)(H,25,27).
What are the key properties of butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate?
butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 66497900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).