methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

C13H18N2O4 — CID 24609543

IUPACmethyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)14-10(16)8-15-7-9(12(18)19-4)5-6-11(15)17/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyHRSKUYITRZBDII-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.55
Rot. Bonds3

About methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate

methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (PubChem CID 24609543) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
PubChem CID24609543
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1ccc(=O)n(CC(=O)NC(C)(C)C)c1
InChIInChI=1S/C13H18N2O4/c1-13(2,3)14-10(16)8-15-7-9(12(18)19-4)5-6-11(15)17/h5-7H,8H2,1-4H3,(H,14,16)
InChIKeyHRSKUYITRZBDII-UHFFFAOYSA-N
XLogP0.55
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 6-oxo-1-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]pyridine-3-carboxylate
CID 24609516
methyl 1-[2-(2,6-diethylanilino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609499
methyl 1-[2-(1-adamantylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 26068946
methyl 1-(2-hydroxypropyl)-6-oxopyridine-3-carboxylate
CID 78018913
methyl 1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 17452795
methyl 4-[[[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-1-yl]acetyl]amino]methyl]benzoate
CID 18280729
methyl 1-[2-[4-(diethylsulfamoyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylate
CID 24609497
1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 61489099
methyl 1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 10638143
methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 30093772

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate (CID 24609543) is methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is COC(=O)c1ccc(=O)n(CC(=O)NC(C)(C)C)c1.
What is the InChIKey of methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
The InChIKey is HRSKUYITRZBDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2,3)14-10(16)8-15-7-9(12(18)19-4)5-6-11(15)17/h5-7H,8H2,1-4H3,(H,14,16).
What are the key properties of methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate?
methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(tert-butylamino)-2-oxoethyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 24609543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).