4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid

C16H15BrN2O5 — CID 118877946

IUPAC4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid
SMILESCOc1cn(C(C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1Br
InChIInChI=1S/C16H15BrN2O5/c1-9(19-8-13(24-2)12(17)7-14(19)20)15(21)18-11-5-3-10(4-6-11)16(22)23/h3-9H,1-2H3,(H,18,21)(H,22,23)
InChIKeyBFTZOVYDYIBXEF-UHFFFAOYSA-N
MW395.21 g/mol
LogP2.52
Rot. Bonds5

About 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid

4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid (PubChem CID 118877946) has the molecular formula C16H15BrN2O5 and a molecular weight of 395.21 g/mol. Its IUPAC name is 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid.

Molecular Properties

Compound Name4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid
PubChem CID118877946
Molecular FormulaC16H15BrN2O5
Molecular Weight395.21 g/mol
Exact Mass394.02
IUPAC Name4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid
SMILESCOc1cn(C(C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1Br
InChIInChI=1S/C16H15BrN2O5/c1-9(19-8-13(24-2)12(17)7-14(19)20)15(21)18-11-5-3-10(4-6-11)16(22)23/h3-9H,1-2H3,(H,18,21)(H,22,23)
InChIKeyBFTZOVYDYIBXEF-UHFFFAOYSA-N
XLogP2.52
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.21
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-(2-bromo-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-oxobutyl]benzoic acid
CID 159924126
(2R)-2-[4-(5-chloro-2-propylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-N-phenylpropanamide
CID 142296010
4-[[(2S)-2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-propan-2-yloxybutanoyl]amino]benzoic acid
CID 122550214
4-[1-(3-bromo-4-methoxyphenyl)ethylamino]benzoic acid
CID 43774326
4-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methylhexanoyl]amino]benzoic acid
CID 138656593
4-[[2-[4-(5-chloro-2-methylphenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-phenylpropanoyl]amino]benzoic acid
CID 155323174
4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-cyclobutylpropanoyl]amino]benzoic acid
CID 86297950
4-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-methoxyphenyl)propanoyl]amino]benzoic acid
CID 134323491
4-[[(2R)-2-(4-methoxyphenoxy)propanoyl]amino]benzoic acid
CID 719424
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
CID 43905180
4-[[2-[4-(2-acetyl-5-chlorophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(2-cyanophenyl)propanoyl]amino]benzoic acid;ethane
CID 142296022
4-[(3-amino-2-methylpropanoyl)amino]benzoic acid
CID 62669470

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid?
The IUPAC name of 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid (CID 118877946) is 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid.
What is the SMILES notation for 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid?
The canonical SMILES for 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid is COc1cn(C(C)C(=O)Nc2ccc(C(=O)O)cc2)c(=O)cc1Br.
What is the InChIKey of 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid?
The InChIKey is BFTZOVYDYIBXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O5/c1-9(19-8-13(24-2)12(17)7-14(19)20)15(21)18-11-5-3-10(4-6-11)16(22)23/h3-9H,1-2H3,(H,18,21)(H,22,23).
What are the key properties of 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid?
4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid has a molecular weight of 395.21 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromo-5-methoxy-2-oxo-1-pyridinyl)propanoylamino]benzoic acid is sourced from PubChem (CID 118877946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).