(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate

C16H15NO4 — CID 2626045

IUPAC(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1ccncc1
InChIInChI=1S/C16H15NO4/c1-11(18)13-3-4-15(20-2)14(9-13)10-21-16(19)12-5-7-17-8-6-12/h3-9H,10H2,1-2H3
InChIKeyOTZUKWXYJYYCJF-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.65
Rot. Bonds5

About (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate

(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate (PubChem CID 2626045) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate.

Molecular Properties

Compound Name(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
PubChem CID2626045
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate
SMILESCOc1ccc(C(C)=O)cc1COC(=O)c1ccncc1
InChIInChI=1S/C16H15NO4/c1-11(18)13-3-4-15(20-2)14(9-13)10-21-16(19)12-5-7-17-8-6-12/h3-9H,10H2,1-2H3
InChIKeyOTZUKWXYJYYCJF-UHFFFAOYSA-N
XLogP2.65
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 4-(2-amino-2-oxoethoxy)benzoate
CID 8678507
(5-acetyl-2-methoxyphenyl)methyl 2,3,4,5,6-pentamethylbenzoate
CID 7235428
(5-acetyl-2-methoxyphenyl)methyl 4-(methylsulfamoyl)benzoate
CID 46670202
(5-acetyl-2-methoxyphenyl)methyl 4-(tetrazol-1-yl)benzoate
CID 2535559
(5-acetyl-2-ethoxyphenyl)methyl 3,4-dimethoxybenzoate
CID 2630514
(5-acetyl-2-methoxyphenyl)methyl 3-cyanobenzoate
CID 7454549
(5-acetyl-2-methoxyphenyl)methyl 2,3-dimethylbenzoate
CID 2425031
(5-acetyl-2-methoxyphenyl)methyl 2-hydroxy-5-methoxybenzoate
CID 7429918
(5-acetyl-2-methoxyphenyl)methyl 1H-indazole-3-carboxylate
CID 2636122
(5-acetyl-2-methoxyphenyl)methyl 3-chloro-4-ethoxy-5-methoxybenzoate
CID 7253721
(5-acetyl-2-methoxyphenyl)methyl 5-chloro-2-hydroxybenzoate
CID 2602816
(5-acetyl-2-methoxyphenyl)methyl 2,3-dichlorobenzoate
CID 2693177

Frequently Asked Questions

What is the IUPAC name of (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate?
The IUPAC name of (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate (CID 2626045) is (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate.
What is the SMILES notation for (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate?
The canonical SMILES for (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate is COc1ccc(C(C)=O)cc1COC(=O)c1ccncc1.
What is the InChIKey of (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate?
The InChIKey is OTZUKWXYJYYCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11(18)13-3-4-15(20-2)14(9-13)10-21-16(19)12-5-7-17-8-6-12/h3-9H,10H2,1-2H3.
What are the key properties of (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate?
(5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetyl-2-methoxyphenyl)methyl pyridine-4-carboxylate is sourced from PubChem (CID 2626045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).