methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate

C16H16N2O4 — CID 75366166

IUPACmethyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2c(C)cccc2=O)cc1
InChIInChI=1S/C16H16N2O4/c1-11-4-3-5-15(20)18(11)10-14(19)17-13-8-6-12(7-9-13)16(21)22-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyVOKJGHPKZPLZCX-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.58
Rot. Bonds4

About methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate

methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate (PubChem CID 75366166) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate
PubChem CID75366166
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Namemethyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)Cn2c(C)cccc2=O)cc1
InChIInChI=1S/C16H16N2O4/c1-11-4-3-5-15(20)18(11)10-14(19)17-13-8-6-12(7-9-13)16(21)22-2/h3-9H,10H2,1-2H3,(H,17,19)
InChIKeyVOKJGHPKZPLZCX-UHFFFAOYSA-N
XLogP1.58
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(4-acetamidophenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
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methyl 4-[(2-pyrrolidin-1-ylacetyl)amino]benzoate
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methyl 4-[(2-piperidin-1-ylacetyl)amino]benzoate
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dimethyl 2-[[2-(2,5-dimethylpyrrol-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
CID 110688899
methyl 4-[[2-(2-hydroxyethylamino)acetyl]amino]benzoate
CID 82358503
methyl 4-[(2-sulfanylacetyl)amino]benzoate
CID 59707367
methyl 4-[(2-bromoacetyl)amino]benzoate
CID 3416406
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
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CID 6466904

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate (CID 75366166) is methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)Cn2c(C)cccc2=O)cc1.
What is the InChIKey of methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate?
The InChIKey is VOKJGHPKZPLZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11-4-3-5-15(20)18(11)10-14(19)17-13-8-6-12(7-9-13)16(21)22-2/h3-9H,10H2,1-2H3,(H,17,19).
What are the key properties of methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate?
methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate has a molecular weight of 300.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(2-methyl-6-oxo-1-pyridinyl)acetyl]amino]benzoate is sourced from PubChem (CID 75366166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).