methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate

C14H12N2O4 — CID 43422875

IUPACmethyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C14H12N2O4/c1-20-14(19)9-4-2-5-10(8-9)16-13(18)11-6-3-7-15-12(11)17/h2-8H,1H3,(H,15,17)(H,16,18)
InChIKeyOWAQIUBTXKAQOE-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.41
Rot. Bonds3

About methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate

methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate (PubChem CID 43422875) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
PubChem CID43422875
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Namemethyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc[nH]c2=O)c1
InChIInChI=1S/C14H12N2O4/c1-20-14(19)9-4-2-5-10(8-9)16-13(18)11-6-3-7-15-12(11)17/h2-8H,1H3,(H,15,17)(H,16,18)
InChIKeyOWAQIUBTXKAQOE-UHFFFAOYSA-N
XLogP1.41
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 115584192
N-(3-iodophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653882
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
2-oxo-N-(3-propoxyphenyl)-1H-pyridine-3-carboxamide
CID 38824053
methyl 3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2676410
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
N-(5-benzamido-2-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 51120342
N-(3,4-dichlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692742
N-(4-ethylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17476623
N-(2-methyl-4-pyridinyl)-2-oxo-1H-pyridine-3-carboxamide
CID 110692738

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate (CID 43422875) is methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc[nH]c2=O)c1.
What is the InChIKey of methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
The InChIKey is OWAQIUBTXKAQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-14(19)9-4-2-5-10(8-9)16-13(18)11-6-3-7-15-12(11)17/h2-8H,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate has a molecular weight of 272.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 43422875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).