methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate

C22H20N2O4 — CID 7597894

IUPACmethyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccccc2C)c1=O
InChIInChI=1S/C22H20N2O4/c1-15-8-3-4-9-16(15)14-24-13-7-11-18(21(24)26)20(25)23-19-12-6-5-10-17(19)22(27)28-2/h3-13H,14H2,1-2H3,(H,23,25)
InChIKeyPGKGNHPLRGRNHX-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.24
Rot. Bonds5

About methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate

methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (PubChem CID 7597894) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
PubChem CID7597894
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Namemethyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccccc2C)c1=O
InChIInChI=1S/C22H20N2O4/c1-15-8-3-4-9-16(15)14-24-13-7-11-18(21(24)26)20(25)23-19-12-6-5-10-17(19)22(27)28-2/h3-13H,14H2,1-2H3,(H,23,25)
InChIKeyPGKGNHPLRGRNHX-UHFFFAOYSA-N
XLogP3.24
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597913
1-[(2-methylphenyl)methyl]-2-oxo-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 7597976
N-(2,5-dimethylphenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597915
1-[(2-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-2-oxopyridine-3-carboxamide
CID 7598504
methyl 2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692910
N-(2-methoxy-5-nitrophenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110382319
N-(2-methoxy-4-nitrophenyl)-1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7597943
ethyl 2-[[1-[(4-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382640
methyl 2-[[2-[1-[(2-methylphenyl)methyl]-7-oxopyrrolo[2,3-c]pyridin-6-yl]acetyl]amino]benzoate
CID 53164273
N-(2,5-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598638
1-[(2-methylphenyl)methyl]-2-oxo-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 7597899
methyl 2-[[1-[(2,5-dimethylphenyl)methyl]pyrrol-2-yl]methylcarbamoylamino]benzoate
CID 20951247

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate (CID 7597894) is methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)c1cccn(Cc2ccccc2C)c1=O.
What is the InChIKey of methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
The InChIKey is PGKGNHPLRGRNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-15-8-3-4-9-16(15)14-24-13-7-11-18(21(24)26)20(25)23-19-12-6-5-10-17(19)22(27)28-2/h3-13H,14H2,1-2H3,(H,23,25).
What are the key properties of methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate?
methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate has a molecular weight of 376.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 7597894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).