ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate

C15H20N2O4 — CID 59226293

IUPACethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate
SMILESCCOC(=O)C(NC(=O)c1ccccn1)C(=O)CC(C)C
InChIInChI=1S/C15H20N2O4/c1-4-21-15(20)13(12(18)9-10(2)3)17-14(19)11-7-5-6-8-16-11/h5-8,10,13H,4,9H2,1-3H3,(H,17,19)
InChIKeySQJQOYKGIBQZPL-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.36
Rot. Bonds7

About ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate

ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate (PubChem CID 59226293) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate.

Molecular Properties

Compound Nameethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate
PubChem CID59226293
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Nameethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate
SMILESCCOC(=O)C(NC(=O)c1ccccn1)C(=O)CC(C)C
InChIInChI=1S/C15H20N2O4/c1-4-21-15(20)13(12(18)9-10(2)3)17-14(19)11-7-5-6-8-16-11/h5-8,10,13H,4,9H2,1-3H3,(H,17,19)
InChIKeySQJQOYKGIBQZPL-UHFFFAOYSA-N
XLogP1.36
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-hydroxy-2-(pyridine-2-carbonylamino)propanoate
CID 70817337
ethyl 2-(chloroamino)-5-methyl-3-oxohexanoate
CID 89093567
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
ethyl 3-hydroxy-2-[hydroxy(pyridine-2-carbonyl)amino]propanoate
CID 88995509
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
ethyl pyridine-2-carboxylate
CID 17307
ethyl 2-[chloro(pyridine-2-carbonyl)amino]-3-hydroxypropanoate
CID 88995427
N-[1-(2,6-dipropylphenyl)ethyl]pyridine-2-carboxamide
CID 135058789
ethyl 4,5-dimethyl-2-(pyridine-2-carbonylamino)thiophene-3-carboxylate
CID 17475562
ethyl 3-(1H-indol-3-yl)-2-(pyridine-2-carbonylamino)propanoate
CID 3674807

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate?
The IUPAC name of ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate (CID 59226293) is ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate.
What is the SMILES notation for ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate?
The canonical SMILES for ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate is CCOC(=O)C(NC(=O)c1ccccn1)C(=O)CC(C)C.
What is the InChIKey of ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate?
The InChIKey is SQJQOYKGIBQZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-4-21-15(20)13(12(18)9-10(2)3)17-14(19)11-7-5-6-8-16-11/h5-8,10,13H,4,9H2,1-3H3,(H,17,19).
What are the key properties of ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate?
ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate has a molecular weight of 292.33 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-3-oxo-2-(pyridine-2-carbonylamino)hexanoate is sourced from PubChem (CID 59226293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).