ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate

C16H17ClN2O3 — CID 127028090

IUPACethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(NCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H17ClN2O3/c1-2-22-15(20)11-19-9-3-4-14(16(19)21)18-10-12-5-7-13(17)8-6-12/h3-9,18H,2,10-11H2,1H3
InChIKeyXJZGDYVDMZLLQI-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.68
Rot. Bonds6

About ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate

ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate (PubChem CID 127028090) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate
PubChem CID127028090
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Nameethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(NCc2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H17ClN2O3/c1-2-22-15(20)11-19-9-3-4-14(16(19)21)18-10-12-5-7-13(17)8-6-12/h3-9,18H,2,10-11H2,1H3
InChIKeyXJZGDYVDMZLLQI-UHFFFAOYSA-N
XLogP2.68
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate (CID 127028090) is ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1cccc(NCc2ccc(Cl)cc2)c1=O.
What is the InChIKey of ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate?
The InChIKey is XJZGDYVDMZLLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-2-22-15(20)11-19-9-3-4-14(16(19)21)18-10-12-5-7-13(17)8-6-12/h3-9,18H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate has a molecular weight of 320.78 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-chlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 127028090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).