methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate

C15H14N2O4 — CID 115584192

IUPACmethyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(C)[nH]c2=O)c1
InChIInChI=1S/C15H14N2O4/c1-9-6-7-12(13(18)16-9)14(19)17-11-5-3-4-10(8-11)15(20)21-2/h3-8H,1-2H3,(H,16,18)(H,17,19)
InChIKeyDUILOLBDPIRWLQ-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.72
Rot. Bonds3

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

methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate (PubChem CID 115584192) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
PubChem CID115584192
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Namemethyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccc(C)[nH]c2=O)c1
InChIInChI=1S/C15H14N2O4/c1-9-6-7-12(13(18)16-9)14(19)17-11-5-3-4-10(8-11)15(20)21-2/h3-8H,1-2H3,(H,16,18)(H,17,19)
InChIKeyDUILOLBDPIRWLQ-UHFFFAOYSA-N
XLogP1.72
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 43422875
methyl 3-[(2,5-dimethylthiophene-3-carbonyl)amino]benzoate
CID 17417091
2-[(3-methoxycarbonylphenyl)carbamoyl]benzoic acid
CID 746419
methyl 3-[(2,4-difluorobenzoyl)amino]benzoate
CID 40652964
N-(4-amino-3-methoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736650
methyl 3-[(2-benzoylbenzoyl)amino]benzoate
CID 26922776
N-(3-hydroxy-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115701467
methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
methyl 3-[[2-(2-cyanophenyl)benzoyl]amino]benzoate
CID 27846126
methyl 3-[(2-ethylbenzoyl)amino]benzoate
CID 81497347
methyl 3-[(4-amino-2-chlorobenzoyl)amino]benzoate
CID 28748885
N-(3-bromo-4-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71993657

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate (CID 115584192) is methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccc(C)[nH]c2=O)c1.
What is the InChIKey of methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
The InChIKey is DUILOLBDPIRWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-9-6-7-12(13(18)16-9)14(19)17-11-5-3-4-10(8-11)15(20)21-2/h3-8H,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate?
methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate has a molecular weight of 286.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 115584192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).