methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate

C18H20N2O4 — CID 24609516

IUPACmethyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H20N2O4/c1-11-7-12(2)17(13(3)8-11)19-15(21)10-20-9-14(18(23)24-4)5-6-16(20)22/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyBCOVMLOLAUINND-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.20
Rot. Bonds4

About methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate

methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate (PubChem CID 24609516) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate
PubChem CID24609516
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C18H20N2O4/c1-11-7-12(2)17(13(3)8-11)19-15(21)10-20-9-14(18(23)24-4)5-6-16(20)22/h5-9H,10H2,1-4H3,(H,19,21)
InChIKeyBCOVMLOLAUINND-UHFFFAOYSA-N
XLogP2.20
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609499
methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609543
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 43041430
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890150
methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 30093772
methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 26068946
methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609497
methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 17452795
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2,6-dimethylphenyl)acetamide
CID 26217251
[2-(4-methoxycarbonylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339260
2-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53137254

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate (CID 24609516) is methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate?
The InChIKey is BCOVMLOLAUINND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-7-12(2)17(13(3)8-11)19-15(21)10-20-9-14(18(23)24-4)5-6-16(20)22/h5-9H,10H2,1-4H3,(H,19,21).
What are the key properties of methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate?
methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate is sourced from PubChem (CID 24609516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).