ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate

C15H15BrN2O3 — CID 58729035

IUPACethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(Br)cn(C)c2=O)cc1
InChIInChI=1S/C15H15BrN2O3/c1-3-21-15(20)10-4-6-12(7-5-10)17-13-8-11(16)9-18(2)14(13)19/h4-9,17H,3H2,1-2H3
InChIKeyMVMHHTNFASKEIT-UHFFFAOYSA-N
MW351.20 g/mol
LogP3.07
Rot. Bonds4

About ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate

ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate (PubChem CID 58729035) has the molecular formula C15H15BrN2O3 and a molecular weight of 351.20 g/mol. Its IUPAC name is ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate
PubChem CID58729035
Molecular FormulaC15H15BrN2O3
Molecular Weight351.20 g/mol
Exact Mass350.03
IUPAC Nameethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cc(Br)cn(C)c2=O)cc1
InChIInChI=1S/C15H15BrN2O3/c1-3-21-15(20)10-4-6-12(7-5-10)17-13-8-11(16)9-18(2)14(13)19/h4-9,17H,3H2,1-2H3
InChIKeyMVMHHTNFASKEIT-UHFFFAOYSA-N
XLogP3.07
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate?
The IUPAC name of ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate (CID 58729035) is ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate is CCOC(=O)c1ccc(Nc2cc(Br)cn(C)c2=O)cc1.
What is the InChIKey of ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate?
The InChIKey is MVMHHTNFASKEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3/c1-3-21-15(20)10-4-6-12(7-5-10)17-13-8-11(16)9-18(2)14(13)19/h4-9,17H,3H2,1-2H3.
What are the key properties of ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate?
ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate has a molecular weight of 351.20 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-bromo-1-methyl-2-oxo-3-pyridinyl)amino]benzoate is sourced from PubChem (CID 58729035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).