[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate

C16H16N2O4 — CID 2112149

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-13-7-5-12(6-8-13)10-18-15(19)11-22-16(20)14-4-2-3-9-17-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyIHWCIFWUTXMJBF-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.56
Rot. Bonds6

About [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate

[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate (PubChem CID 2112149) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
PubChem CID2112149
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate
SMILESCOc1ccc(CNC(=O)COC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H16N2O4/c1-21-13-7-5-12(6-8-13)10-18-15(19)11-22-16(20)14-4-2-3-9-17-14/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyIHWCIFWUTXMJBF-UHFFFAOYSA-N
XLogP1.56
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate (CID 2112149) is [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate is COc1ccc(CNC(=O)COC(=O)c2ccccn2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
The InChIKey is IHWCIFWUTXMJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-21-13-7-5-12(6-8-13)10-18-15(19)11-22-16(20)14-4-2-3-9-17-14/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate?
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate has a molecular weight of 300.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] pyridine-2-carboxylate is sourced from PubChem (CID 2112149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).