methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate

C17H18N2O4 — CID 110861610

IUPACmethyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C17H18N2O4/c1-10-9-11(2)19(3)16(21)14(10)15(20)18-13-8-6-5-7-12(13)17(22)23-4/h5-9H,1-4H3,(H,18,20)
InChIKeyHZKYJBOJFDJEQQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.04
Rot. Bonds3

About methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate

methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate (PubChem CID 110861610) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate
PubChem CID110861610
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1c(C)cc(C)n(C)c1=O
InChIInChI=1S/C17H18N2O4/c1-10-9-11(2)19(3)16(21)14(10)15(20)18-13-8-6-5-7-12(13)17(22)23-4/h5-9H,1-4H3,(H,18,20)
InChIKeyHZKYJBOJFDJEQQ-UHFFFAOYSA-N
XLogP2.04
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

1,4,6-trimethyl-2-oxo-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860792
N-(2,6-dimethylphenyl)-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110857573
methyl 2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692910
1,4,6-trimethyl-2-oxo-N-[2-(piperidin-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 131943063
methyl 2-[(4,6-dimethylpyrimidine-5-carbonyl)amino]benzoate
CID 110861617
methyl 2-[[1-[(2-methylphenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597894
methyl 2-[(5-chloro-2-methylbenzoyl)amino]benzoate
CID 115532221
methyl 2-[[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carbonyl]amino]benzoate
CID 22578644
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54688157
methyl 2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]benzoate
CID 4812601
methyl 2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]benzoate
CID 110861604
methyl 2-[(1,2,3-trimethylindole-5-carbonyl)amino]benzoate
CID 1225688

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate (CID 110861610) is methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1c(C)cc(C)n(C)c1=O.
What is the InChIKey of methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate?
The InChIKey is HZKYJBOJFDJEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-10-9-11(2)19(3)16(21)14(10)15(20)18-13-8-6-5-7-12(13)17(22)23-4/h5-9H,1-4H3,(H,18,20).
What are the key properties of methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate?
methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate has a molecular weight of 314.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110861610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).