methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate

C16H16N2O3 — CID 39732995

IUPACmethyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-7-13(16(20)21-3)9-15(17-10)12-5-4-6-14(8-12)18-11(2)19/h4-9H,1-3H3,(H,18,19)
InChIKeyVURSEFODSUKOOD-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.80
Rot. Bonds3

About methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate

methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate (PubChem CID 39732995) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate
PubChem CID39732995
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Namemethyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate
SMILESCOC(=O)c1cc(C)nc(-c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C16H16N2O3/c1-10-7-13(16(20)21-3)9-15(17-10)12-5-4-6-14(8-12)18-11(2)19/h4-9H,1-3H3,(H,18,19)
InChIKeyVURSEFODSUKOOD-UHFFFAOYSA-N
XLogP2.80
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
3-[6-(3-acetamidophenyl)pyrazin-2-yl]benzoic acid
CID 126473086
methyl 2-(3-cyano-1H-indol-5-yl)-6-methylpyridine-4-carboxylate
CID 67107039
dimethyl 5-acetamidobenzene-1,3-dicarboxylate
CID 610627
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
N-[3-(3-aminophenyl)phenyl]acetamide
CID 22724502
methyl 3-[(4,6-dimethylpyrimidin-2-yl)amino]benzoate
CID 4073777
methyl 3-[2-(3-acetamidophenyl)ethynyl]benzoate
CID 46430776
2-(3-acetamidophenyl)-4-methylimidazole-1-carboxylic acid
CID 19761467
methyl 2-(5-chloro-2-fluorophenyl)-6-methylpyridine-4-carboxylate
CID 67469548
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
methyl 2-chloro-6-methylpyridine-4-carboxylate
CID 2759833

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate?
The IUPAC name of methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate (CID 39732995) is methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate?
The canonical SMILES for methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate is COC(=O)c1cc(C)nc(-c2cccc(NC(C)=O)c2)c1.
What is the InChIKey of methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate?
The InChIKey is VURSEFODSUKOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-10-7-13(16(20)21-3)9-15(17-10)12-5-4-6-14(8-12)18-11(2)19/h4-9H,1-3H3,(H,18,19).
What are the key properties of methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate?
methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetamidophenyl)-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 39732995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).