2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid

C15H13BrN2O4 — CID 112707571

IUPAC2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCc1cc(NC(=O)c2ccc(=O)n(CC(=O)O)c2)ccc1Br
InChIInChI=1S/C15H13BrN2O4/c1-9-6-11(3-4-12(9)16)17-15(22)10-2-5-13(19)18(7-10)8-14(20)21/h2-7H,8H2,1H3,(H,17,22)(H,20,21)
InChIKeyOQNMNNZYBMXLGM-UHFFFAOYSA-N
MW365.18 g/mol
LogP2.26
Rot. Bonds4

About 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid

2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 112707571) has the molecular formula C15H13BrN2O4 and a molecular weight of 365.18 g/mol. Its IUPAC name is 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
PubChem CID112707571
Molecular FormulaC15H13BrN2O4
Molecular Weight365.18 g/mol
Exact Mass364.01
IUPAC Name2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
SMILESCc1cc(NC(=O)c2ccc(=O)n(CC(=O)O)c2)ccc1Br
InChIInChI=1S/C15H13BrN2O4/c1-9-6-11(3-4-12(9)16)17-15(22)10-2-5-13(19)18(7-10)8-14(20)21/h2-7H,8H2,1H3,(H,17,22)(H,20,21)
InChIKeyOQNMNNZYBMXLGM-UHFFFAOYSA-N
XLogP2.26
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-1-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 26843861
2-[5-[(4-fluorophenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 110082545
2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid
CID 169214363
4-bromo-N-(3,4-dimethylphenyl)-3-methylbenzamide
CID 113396743
N-(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671500
N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 710659
N-(4-bromo-3-methylphenyl)-3-chloro-4-methylbenzamide
CID 2296154
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
4-bromo-3-methyl-N-(4-methylphenyl)benzamide
CID 113396750
N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309171
N-(4-bromo-3-methylphenyl)-5-methylfuran-3-carboxamide
CID 114820847
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid (CID 112707571) is 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid is Cc1cc(NC(=O)c2ccc(=O)n(CC(=O)O)c2)ccc1Br.
What is the InChIKey of 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is OQNMNNZYBMXLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O4/c1-9-6-11(3-4-12(9)16)17-15(22)10-2-5-13(19)18(7-10)8-14(20)21/h2-7H,8H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid?
2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 365.18 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 112707571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).