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

C16H16Cl2N2O3 — CID 127028430

IUPACethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-2-23-15(21)10-20-7-3-4-14(16(20)22)19-9-11-5-6-12(17)13(18)8-11/h3-8,19H,2,9-10H2,1H3
InChIKeyDMJCISUBCAJHFN-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.33
Rot. Bonds6

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

ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate (PubChem CID 127028430) has the molecular formula C16H16Cl2N2O3 and a molecular weight of 355.22 g/mol. Its IUPAC name is ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate
PubChem CID127028430
Molecular FormulaC16H16Cl2N2O3
Molecular Weight355.22 g/mol
Exact Mass354.05
IUPAC Nameethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate
SMILESCCOC(=O)Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C16H16Cl2N2O3/c1-2-23-15(21)10-20-7-3-4-14(16(20)22)19-9-11-5-6-12(17)13(18)8-11/h3-8,19H,2,9-10H2,1H3
InChIKeyDMJCISUBCAJHFN-UHFFFAOYSA-N
XLogP3.33
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate (CID 127028430) is ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate is CCOC(=O)Cn1cccc(NCc2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate?
The InChIKey is DMJCISUBCAJHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O3/c1-2-23-15(21)10-20-7-3-4-14(16(20)22)19-9-11-5-6-12(17)13(18)8-11/h3-8,19H,2,9-10H2,1H3.
What are the key properties of ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate?
ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate has a molecular weight of 355.22 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(3,4-dichlorophenyl)methylamino]-2-oxo-1-pyridinyl]acetate is sourced from PubChem (CID 127028430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).