[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate

C17H18N2O4 — CID 652812

IUPAC[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate
SMILESCOc1ccc(CNC(=O)C(OC(C)=O)c2ccccn2)cc1
InChIInChI=1S/C17H18N2O4/c1-12(20)23-16(15-5-3-4-10-18-15)17(21)19-11-13-6-8-14(22-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,21)
InChIKeyRPBQTXSJNDXFAJ-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.01
Rot. Bonds6

About [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate

[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate (PubChem CID 652812) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate
PubChem CID652812
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate
SMILESCOc1ccc(CNC(=O)C(OC(C)=O)c2ccccn2)cc1
InChIInChI=1S/C17H18N2O4/c1-12(20)23-16(15-5-3-4-10-18-15)17(21)19-11-13-6-8-14(22-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,21)
InChIKeyRPBQTXSJNDXFAJ-UHFFFAOYSA-N
XLogP2.01
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate?
The IUPAC name of [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate (CID 652812) is [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate.
What is the SMILES notation for [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate?
The canonical SMILES for [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate is COc1ccc(CNC(=O)C(OC(C)=O)c2ccccn2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate?
The InChIKey is RPBQTXSJNDXFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-12(20)23-16(15-5-3-4-10-18-15)17(21)19-11-13-6-8-14(22-2)9-7-13/h3-10,16H,11H2,1-2H3,(H,19,21).
What are the key properties of [2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate?
[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-pyridin-2-ylethyl] acetate has a molecular weight of 314.34 g/mol, XLogP of 2.01, 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-oxo-1-pyridin-2-ylethyl] acetate is sourced from PubChem (CID 652812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).