[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate

C16H22N2O5 — CID 42936092

IUPAC[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)c1ccc(C)nc1
InChIInChI=1S/C16H22N2O5/c1-10(2)7-13(16(21)22-4)18-14(19)9-23-15(20)12-6-5-11(3)17-8-12/h5-6,8,10,13H,7,9H2,1-4H3,(H,18,19)
InChIKeySDVIUQAEXFKHNC-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.25
Rot. Bonds7

About [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate

[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate (PubChem CID 42936092) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
PubChem CID42936092
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
SMILESCOC(=O)C(CC(C)C)NC(=O)COC(=O)c1ccc(C)nc1
InChIInChI=1S/C16H22N2O5/c1-10(2)7-13(16(21)22-4)18-14(19)9-23-15(20)12-6-5-11(3)17-8-12/h5-6,8,10,13H,7,9H2,1-4H3,(H,18,19)
InChIKeySDVIUQAEXFKHNC-UHFFFAOYSA-N
XLogP1.25
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 5,6-dichloropyridine-3-carboxylate
CID 55397258
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] benzoate
CID 9018914
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 46828992
[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008699
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 55399375
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 6-methylpyridine-3-carboxylate
CID 71823490
[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2,3-dimethylbenzoate
CID 9079590
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoate
CID 55400424
[2-(methylcarbamoylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 30344335
methyl (2R)-2-[[2-[2-(4-acetylphenoxy)acetyl]oxyacetyl]amino]-4-methylpentanoate
CID 8806342
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 3-oxo-4H-1,4-benzothiazine-6-carboxylate
CID 46606770
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199388

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate (CID 42936092) is [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate is COC(=O)C(CC(C)C)NC(=O)COC(=O)c1ccc(C)nc1.
What is the InChIKey of [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is SDVIUQAEXFKHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-10(2)7-13(16(21)22-4)18-14(19)9-23-15(20)12-6-5-11(3)17-8-12/h5-6,8,10,13H,7,9H2,1-4H3,(H,18,19).
What are the key properties of [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate?
[2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 42936092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).