methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

C19H22N2O4 — CID 24609499

IUPACmethyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)Cn1cc(C(=O)OC)ccc1=O
InChIInChI=1S/C19H22N2O4/c1-4-13-7-6-8-14(5-2)18(13)20-16(22)12-21-11-15(19(24)25-3)9-10-17(21)23/h6-11H,4-5,12H2,1-3H3,(H,20,22)
InChIKeyCMONLDWJFBYKBP-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.40
Rot. Bonds6

About methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 24609499) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID24609499
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)Cn1cc(C(=O)OC)ccc1=O
InChIInChI=1S/C19H22N2O4/c1-4-13-7-6-8-14(5-2)18(13)20-16(22)12-21-11-15(19(24)25-3)9-10-17(21)23/h6-11H,4-5,12H2,1-3H3,(H,20,22)
InChIKeyCMONLDWJFBYKBP-UHFFFAOYSA-N
XLogP2.40
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 82108011
methyl 1-[2-(butan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 43041430
N-(2,6-diethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890319
methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609543
methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609497
methyl 1-[2-(cyclopentylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609506
methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 26068946
1-[2-(4-ethylanilino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505343
methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate
CID 78018913
2-(5-bromo-2-oxo-1-pyridinyl)-N-(2-ethylphenyl)acetamide
CID 26051552
methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 30093772
methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 17452795

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 24609499) is methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is CCc1cccc(CC)c1NC(=O)Cn1cc(C(=O)OC)ccc1=O.
What is the InChIKey of methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is CMONLDWJFBYKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-13-7-6-8-14(5-2)18(13)20-16(22)12-21-11-15(19(24)25-3)9-10-17(21)23/h6-11H,4-5,12H2,1-3H3,(H,20,22).
What are the key properties of methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 24609499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).